primary_name
string
cas_number
string
cid
int64
iupac_name
string
canonical_smiles
string
inchi
string
inchi_key
string
molecular_formula
string
molecular_weight
float64
exact_mass
float64
xlogp
float64
tpsa
float64
complexity
int64
charge
int64
h_bond_donor_count
int64
h_bond_acceptor_count
int64
rotatable_bond_count
int64
heavy_atom_count
int64
flash_point
string
boiling_point
string
acute_aquatic_toxicity
int64
acute_toxicity_dermal
int64
acute_toxicity_inhalation
int64
acute_toxicity_oral
int64
aspiration_hazard
int64
carcinogenicity
int64
chronic_aquatic_toxicity
int64
eye_damage_irritation
int64
flammable_liquids
int64
flammable_solids
int64
germ_cell_mutagenicity
int64
metal_corrosion
int64
organic_peroxides
int64
reproductive_toxicity
int64
respiratory_sensitization
int64
self_reactive_substances
int64
skin_corrosion_irritation
int64
skin_sensitization
int64
stot_repeated_exposure
int64
stot_single_exposure
int64
IRON SULFIDE
012068-85-8
123,110
null
[S-][S-].[Fe+2]
InChI=1S/Fe.S2/c;1-2/q+2;-2
NIFIFKQPDTWWGU-UHFFFAOYSA-N
FeS2
119.98
119.879078
null
2
2
0
0
2
0
3
null
null
1
0
0
0
0
0
1
0
0
0
0
0
0
0
1
0
0
1
0
0
NICKEL CYANIDE
000557-19-7
6,093,189
nickel(2+) dicyanide
[C-]#N.[C-]#N.[Ni+2]
InChI=1S/2CN.Ni/c2*1-2;/q2*-1;+2
NLEUXPOVZGDKJI-UHFFFAOYSA-N
C2N2Ni
110.73
109.94149
null
47.6
10
0
0
4
0
5
Not Applicable. Not flammable. (USCG, 1999)
Decomposes. (USCG, 1999)
1
0
0
0
0
1
1
0
0
0
0
0
0
0
1
0
0
1
1
0
TRANS-PLATINUM-II-DIAMINE DICHLORIDE
014913-33-8
441,203
azane;dichloroplatinum(2+)
N.N.Cl[Pt+2]Cl
InChI=1S/2ClH.2H3N.Pt/h2*1H;2*1H3;/q;;;;+4/p-2
BSJGASKRWFKGMV-UHFFFAOYSA-L
Cl2H6N2Pt+2
300.05
298.955598
null
2
7
2
2
2
0
5
null
null
0
0
0
0
0
1
0
1
0
0
1
0
0
1
1
0
0
1
0
0
COBALT IRON OXIDE
012052-28-7
44,602,546
cobalt(2+);bis(iron(3+));tetrakis(oxygen(2-))
[O-2].[O-2].[O-2].[O-2].[Fe+3].[Fe+3].[Co+2]
InChI=1S/Co.2Fe.4O/q+2;2*+3;4*-2
MMOVVVBHLUGHGW-UHFFFAOYSA-N
CoFe2O4
234.62
234.782723
null
4
0
0
0
4
0
7
null
null
0
0
1
0
0
0
0
0
0
0
0
0
0
1
1
0
0
1
1
0
COPPER CHROMITE, BARIUM PROMOTED
099328-50-4
168,006,805
null
N.N.[N+](=O)(O)[O-].[N+](=O)(O)[O-].O[Cr](=O)(=O)O.[Cu].[Ba]
InChI=1S/Ba.Cr.Cu.2HNO3.2H3N.2H2O.2O/c;;;2*2-1(3)4;;;;;;/h;;;2*(H,2,3,4);2*1H3;2*1H2;;/q;+2;;;;;;;;;/p-2
WJJZLLHSHLVOJE-UHFFFAOYSA-L
BaCrCuH10N4O10
478.97
478.815041
null
209
106
0
6
12
0
17
null
null
0
0
0
0
0
1
1
1
0
0
1
0
0
0
0
0
0
1
0
0
NICKEL BORIDE
012007-00-0
82,791
boranylidynenickel
B#[Ni]
InChI=1S/B.Ni
QDWJUBJKEHXSMT-UHFFFAOYSA-N
BNi
69.51
68.944647
null
0
10
0
0
0
0
2
null
null
1
0
0
0
0
1
1
0
0
0
0
0
0
0
0
0
0
1
1
0
HYDRAZINECARBOXIMIDAMIDE, SULFATE (2:1)
000996-19-0
2,734,952
bis(2-aminoguanidine);sulfuric acid
C(=NN)(N)N.C(=NN)(N)N.OS(=O)(=O)O
InChI=1S/2CH6N4.H2O4S/c2*2-1(3)5-4;1-5(2,3)4/h2*4H2,(H4,2,3,5);(H2,1,2,3,4)
VKGQPUZNCZPZKI-UHFFFAOYSA-N
C2H14N8O4S
246.25
246.085872
null
264
123
0
8
8
0
15
null
null
0
0
0
0
0
0
1
0
0
0
0
0
0
1
0
0
0
1
0
0
NICKEL(II) PHOSPHATE HYDRATE
027176-17-6
71,317,428
tris(nickel(2+));diphosphate;hydrate
O.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Ni+2].[Ni+2].[Ni+2]
InChI=1S/3Ni.2H3O4P.H2O/c;;;2*1-5(2,3)4;/h;;;2*(H3,1,2,3,4);1H2/q3*+2;;;/p-6
PZLMPZGLQBNCKC-UHFFFAOYSA-H
H2Ni3O9P2
384.04
383.718874
null
174
36
0
1
9
0
14
null
null
1
0
0
0
0
1
1
0
0
0
0
0
0
0
1
0
0
1
1
0
POLY(1,4-BUTYLENE SUCCINATE), EXTENDED WITH 1,6- DIISOCYANATOHEXANE
143606-53-5
156,593,869
butanedioic acid;butane-1,4-diol;1,6-diisocyanatohexane
C(CCCN=C=O)CCN=C=O.C(CCO)CO.C(CC(=O)O)C(=O)O
InChI=1S/C8H12N2O2.C4H6O4.C4H10O2/c11-7-9-5-3-1-2-4-6-10-8-12;5-3(6)1-2-4(7)8;5-3-1-2-4-6/h1-6H2;1-2H2,(H,5,6)(H,7,8);5-6H,1-4H2
ZZJQLLHZQMYHEA-UHFFFAOYSA-N
C16H28N2O8
376.4
376.184566
null
174
279
0
4
10
13
26
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
1
0
0
1-IODO-2-(2-IODOETHOXY)ETHANE
034270-90-1
3,430,779
1-iodo-2-(2-iodoethoxy)ethane
C(CI)OCCI
InChI=1S/C4H8I2O/c5-1-3-7-4-2-6/h1-4H2
XWYDQETVMJZUOJ-UHFFFAOYSA-N
C4H8I2O
325.91
325.86646
2.3
9.2
28
0
0
1
4
7
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
1
0
0
2,4,7,9-TETRAMETHYL-5-DECYNE-4,7-DIOL
000126-86-3
31,362
2,4,7,9-tetramethyldec-5-yne-4,7-diol
CC(C)CC(C)(C#CC(C)(CC(C)C)O)O
InChI=1S/C14H26O2/c1-11(2)9-13(5,15)7-8-14(6,16)10-12(3)4/h11-12,15-16H,9-10H2,1-6H3
LXOFYPKXCSULTL-UHFFFAOYSA-N
C14H26O2
226.35
226.19328
2.7
40.5
256
0
2
2
6
16
null
null
0
0
0
0
0
0
1
1
0
0
0
0
0
0
0
0
0
1
0
0
3-HEXYNE-2,5-DIOL, 2,5-DIMETHYL-
000142-30-3
8,883
2,5-dimethylhex-3-yne-2,5-diol
CC(C)(C#CC(C)(C)O)O
InChI=1S/C8H14O2/c1-7(2,9)5-6-8(3,4)10/h9-10H,1-4H3
IHJUECRFYCQBMW-UHFFFAOYSA-N
C8H14O2
142.2
142.09938
0.1
40.5
160
0
2
2
2
10
null
205 °C @ 759 MM HG
0
0
0
0
0
0
0
1
0
0
0
0
0
0
1
0
0
1
0
0
ACETIC ACID, COBALT(3+) SALT
000917-69-1
61,231
cobalt(3+) triacetate
CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Co+3]
InChI=1S/3C2H4O2.Co/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3
ZUKDFIXDKRLHRB-UHFFFAOYSA-K
C6H9CoO6
236.06
235.973107
null
120
25
0
0
6
0
13
null
null
0
0
0
0
0
1
0
0
0
0
0
0
0
1
1
0
0
1
1
1
ALUMINUM COBALT OXIDE (AL2COO4)
001333-88-6
71,816,266
dialuminum;cobalt(2+);tetrakis(oxygen(2-))
[O-2].[O-2].[O-2].[O-2].[Al+3].[Al+3].[Co+2]
InChI=1S/2Al.Co.4O/q2*+3;+2;4*-2
LTXHKPDRHPMBKA-UHFFFAOYSA-N
Al2CoO4
176.894
176.875929
null
4
0
0
0
4
0
7
null
null
0
0
0
0
0
1
0
1
0
0
1
0
0
1
1
0
0
1
0
0
ALUMINUM NICKEL OXIDE (AL2NIO4)
012004-35-2
44,149,031
dialuminum;nickel(2+);tetrakis(oxygen(2-))
[O-2].[O-2].[O-2].[O-2].[Al+3].[Al+3].[Ni+2]
InChI=1S/2Al.Ni.4O/q2*+3;+2;4*-2
OADDCINVIUHXGF-UHFFFAOYSA-N
Al2NiO4
176.654
175.878077
null
4
0
0
0
4
0
7
null
null
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
1
1
0
COBALT, BIS[CARBONATO(2-)]HEXAHYDROXYPENTA-
012602-23-2
14,274,759
pentakis(cobalt(2+));dicarbonate;hexahydroxide
C(=O)([O-])[O-].C(=O)([O-])[O-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Co+2].[Co+2].[Co+2].[Co+2].[Co+2]
InChI=1S/2CH2O3.5Co.6H2O/c2*2-1(3)4;;;;;;;;;;;/h2*(H2,2,3,4);;;;;;6*1H2/q;;5*+2;;;;;;/p-10
HIYNGBUQYVBFLA-UHFFFAOYSA-D
C2H6Co5O12
516.73
516.65189
null
132
18
0
6
12
0
19
null
null
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
0
0
MOLYBDENUM NICKEL OXIDE
012673-58-4
44,149,518
molybdenum;nickel(2+);tetrakis(oxygen(2-))
[O-2].[O-2].[O-2].[O-2].[Ni+2].[Mo]
InChI=1S/Mo.Ni.4O/q;+2;4*-2
NMOQDZSTICHOQM-UHFFFAOYSA-N
MoNiO4-6
218.64
219.820404
null
4
0
-6
0
4
0
6
null
null
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
1
1
0
PHOSPHINODITHIOIC ACID, BIS(2-METHYLPROPYL)-, SODIUM SALT
013360-78-6
23,672,293
sodium bis(2-methylpropyl)-sulfanylidene-sulfido-lambda5-phosphane
CC(C)CP(=S)(CC(C)C)[S-].[Na+]
InChI=1S/C8H19PS2.Na/c1-7(2)5-9(10,11)6-8(3)4;/h7-8H,5-6H2,1-4H3,(H,10,11);/q;+1/p-1
OJNSBQOHIIYIQN-UHFFFAOYSA-M
C8H18NaPS2
232.3
232.048524
null
33.1
143
0
0
2
4
12
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
1
0
0
PRASEODYMIUM IODIDE (PRI3)
013813-23-5
83,744
triiodopraseodymium
I[Pr](I)I
InChI=1S/3HI.Pr/h3*1H;/q;;;+3/p-3
PVEVRIVGNKNWML-UHFFFAOYSA-K
I3Pr
521.6211
521.6211
null
0
8
0
0
0
0
4
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
1
0
0
DIPHOSPHORIC ACID, COBALT(2+) SALT (1:2)
014640-56-3
167,130
bis(cobalt(2+));phosphonato phosphate
[O-]P(=O)([O-])OP(=O)([O-])[O-].[Co+2].[Co+2]
InChI=1S/2Co.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;;(H2,1,2,3)(H2,4,5,6)/q2*+2;/p-4
JECJVZVHLPZRNM-UHFFFAOYSA-J
Co2O7P2
291.81
291.778313
null
136
124
0
0
7
0
11
null
null
1
0
0
0
0
1
1
0
0
0
1
0
0
1
0
0
0
1
0
0
DYSPROSIUM IODIDE (DYI3)
015474-63-2
84,931
dysprosium(3+) triiodide
[I-].[I-].[I-].[Dy+3]
InChI=1S/Dy.3HI/h;3*1H/q+3;;;/p-3
RZQFCZYXPRKMTP-UHFFFAOYSA-K
DyI3
543.213
544.6426
null
0
0
0
0
3
0
4
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
1
1
0
0
1
0
0
CHROMIC ACID (H2CR2O7), NICKEL(2+) SALT (1:1)
015586-38-6
85,002
nickel(2+);oxido-(oxido(dioxo)chromio)oxy-dioxochromium
[O-][Cr](=O)(=O)O[Cr](=O)(=O)[O-].[Ni+2]
InChI=1S/2Cr.Ni.7O/q;;+2;;;;;;2*-1
PLHASFSAGNOMLM-UHFFFAOYSA-N
Cr2NiO7
274.68
273.780753
null
124
194
0
0
7
0
10
null
null
1
0
0
0
0
1
1
0
0
0
1
0
0
1
1
0
0
1
1
0
NICKEL URANIUM OXIDE (NIU3O10)
015780-33-3
85,096
null
[O-][U](=O)(=O)O[U](=O)(=O)O[U](=O)(=O)[O-].[Ni+2]
InChI=1S/Ni.10O.3U/q+2;;;;;;;;;2*-1;;;
WTMASFUHFYWMEU-UHFFFAOYSA-N
NiO10U3
932.77
932.03685
null
167
371
0
0
10
2
14
null
null
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
1
1
0
TELLURIC ACID (H2TEO3), NICKEL(2+) SALT (1:1)
015851-52-2
167,478
nickel(2+) tellurite
[O-][Te](=O)[O-].[Ni+2]
InChI=1S/Ni.H2O3Te/c;1-4(2)3/h;(H2,1,2,3)/q+2;/p-2
CMLGVHIYOLIDTE-UHFFFAOYSA-L
NiO3Te
234.3
235.826308
null
63.2
18
0
0
3
0
5
null
null
1
0
0
0
0
1
1
0
0
0
0
0
0
0
1
0
0
1
1
0
TELLURIC ACID (H2TEO4), NICKEL(2+) SALT (1:1)
015852-21-8
167,483
nickel(2+) tellurate
[O-][Te](=O)(=O)[O-].[Ni+2]
InChI=1S/Ni.H2O4Te/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2
JWTUERYYWTZBJA-UHFFFAOYSA-L
NiO4Te
250.3
251.821223
null
80.3
62
0
0
4
0
6
null
null
1
0
0
0
0
1
1
0
0
0
0
0
0
0
1
0
0
1
1
0
SILICATE(2-), HEXAFLUORO-, NICKEL(2+) (1:1)
026043-11-8
13,955,720
hexafluorosilicon(2-);nickel(2+)
F[Si-2](F)(F)(F)(F)F.[Ni+2]
InChI=1S/F6Si.Ni/c1-7(2,3,4,5)6;/q-2;+2
DTEGYNSFDBDJNH-UHFFFAOYSA-N
F6NiSi
200.769
199.902687
null
0
62
0
0
7
0
8
null
null
1
0
0
0
0
1
1
0
0
0
1
0
0
1
1
0
0
1
1
0
1-OCTANESULFONYL CHLORIDE, 3,3,4,4,5,5,6,6,7,7,8,8,8-TRIDECAFLUORO-
027619-89-2
119,685
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-sulfonyl chloride
C(CS(=O)(=O)Cl)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI=1S/C8H4ClF13O2S/c9-25(23,24)2-1-3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)22/h1-2H2
NDBZVZPOTNLWLU-UHFFFAOYSA-N
C8H4ClF13O2S
446.61
445.941294
5.2
42.5
588
0
0
15
7
25
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
1
0
0
SILICIC ACID (H2SIO3), NICKEL(2+) SALT (4:3)
031748-25-1
169,355
tetrakis(dioxido(oxo)silane);tris(nickel(2+))
[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[Ni+2].[Ni+2].[Ni+2]
InChI=1S/3Ni.4O3Si/c;;;4*1-4(2)3/q3*+2;4*-2
ASXBPHUHJDRIAA-UHFFFAOYSA-N
Ni3O12Si4-2
480.41
479.64815
null
253
18
-2
0
12
0
19
null
null
1
0
0
0
0
1
1
0
0
0
0
0
0
0
0
0
0
1
1
0
SILICIC ACID, NICKEL SALT
037321-15-6
169,908
dioxido(oxo)silane;nickel(2+)
[O-][Si](=O)[O-].[Ni+2]
InChI=1S/Ni.O3Si/c;1-4(2)3/q+2;-2
FMQXRRZIHURSLR-UHFFFAOYSA-N
NiO3Si
134.777
133.897012
null
63.2
18
0
0
3
0
5
null
null
1
0
0
0
0
1
1
0
0
0
0
0
0
0
0
0
0
1
1
0
HEXANEDIOIC ACID, ESTER WITH 2,2-BIS(HYDROXYMETHYL)-1,3-PROPANEDIOL
052627-55-1
104,264
2,2-bis(hydroxymethyl)propane-1,3-diol;hexanedioic acid
C(CCC(=O)O)CC(=O)O.C(C(CO)(CO)CO)O
InChI=1S/C6H10O4.C5H12O4/c7-5(8)3-1-2-4-6(9)10;6-1-5(2-7,3-8)4-9/h1-4H2,(H,7,8)(H,9,10);6-9H,1-4H2
NAEDWKNFXVUORY-UHFFFAOYSA-N
C11H22O8
282.29
282.131468
null
156
166
0
6
8
9
19
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
1
0
0
CHROMIUM COBALT IRON OXIDE
063497-09-6
6,454,624
chromium(3+);cobalt(2+);iron(3+);tetrakis(oxygen(2-))
[O-2].[O-2].[O-2].[O-2].[Cr+3].[Fe+3].[Co+2]
InChI=1S/Co.Cr.Fe.4O/q+2;2*+3;4*-2
JGKGEXCILSDQBF-UHFFFAOYSA-N
CoCrFeO4
230.77
230.788292
null
4
0
0
0
4
0
7
null
null
0
0
1
0
0
0
0
0
0
0
0
0
0
1
1
0
0
1
1
0
CHLORIC ACID, NICKEL(2+) SALT
067952-43-6
162,212
nickel(2+) dichlorate
[O-]Cl(=O)=O.[O-]Cl(=O)=O.[Ni+2]
InChI=1S/2ClHO3.Ni/c2*2-1(3)4;/h2*(H,2,3,4);/q;;+2/p-2
RZLUIDROFNIMHF-UHFFFAOYSA-L
Cl2NiO6
225.59
223.842535
null
114
36
0
0
6
0
9
null
null
1
0
0
0
0
1
1
0
0
0
1
0
0
1
1
0
0
1
1
0
1,2,3-PROPANETRICARBOXYLIC ACID, 2-HYDROXY-, AMMONIUM NICKEL(2+) SALT (2:2:1)
068025-13-8
172,101
azanium;2-hydroxypropane-1,2,3-tricarboxylate;nickel(2+)
C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[NH4+].[Ni+2]
InChI=1S/C6H8O7.H3N.Ni/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H3;/q;;+2/p-2
QVIDGJRVLOQYJX-UHFFFAOYSA-L
C6H9NNiO7
265.83
264.973243
null
142
211
0
2
7
2
15
null
null
1
0
0
0
0
1
1
0
0
0
1
0
0
1
1
0
0
1
1
0
MOLYBDENUM NICKEL HYDROXIDE OXIDE PHOSPHATE
068130-36-9
176,236
molybdenum;nickel(2+);oxygen(2-);hydroxide;phosphate
[OH-].[O-2].[O-]P(=O)([O-])[O-].[Ni+2].[Mo]
InChI=1S/Mo.Ni.H3O4P.H2O.O/c;;1-5(2,3)4;;/h;;(H3,1,2,3,4);1H2;/q;+2;;;-2/p-4
KNQDGGOTQNRXGB-UHFFFAOYSA-J
HMoNiO6P-4
282.62
283.79182
null
88.3
36
-4
1
6
0
9
null
null
1
0
0
0
0
1
1
0
0
0
0
0
0
0
1
0
0
1
1
0
C.I. PIGMENT GREEN 50
068186-85-6
162,786,626
calcium;lithium;magnesium;zinc;cobalt(2+);iron(3+);nickel(2+);oxygen(2-);titanium(4+)
[Li+].[O-2].[Mg+2].[Ca+2].[Ti+4].[Fe+3].[Co+2].[Ni+2].[Zn+2]
InChI=1S/Ca.Co.Fe.Li.Mg.Ni.O.Ti.Zn/q2*+2;+3;+1;2*+2;-2;+4;+2
JOZKGELABZLNCA-UHFFFAOYSA-N
CaCoFeLiMgNiOTiZn+16
374.1
371.639104
null
1
0
16
0
1
0
9
null
null
0
0
1
0
0
0
0
0
0
0
0
0
0
1
1
0
0
1
1
0
NICKEL ZIRCONIUM OXIDE (NIZRO3)
070692-93-2
172,568
nickel(2+);tris(oxygen(2-));zirconium(4+)
[O-2].[O-2].[O-2].[Ni+2].[Zr+4]
InChI=1S/Ni.3O.Zr/q+2;3*-2;+4
IOKPLNQRQWZPGF-UHFFFAOYSA-N
NiO3Zr
197.91
195.824784
null
3
0
0
0
3
0
5
null
null
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
1
1
0
PHOSPHINODITHIOIC ACID, DIBUTYL-, SODIUM SALT
071550-48-6
23,710,478
sodium dibutyl-sulfanylidene-sulfido-lambda5-phosphane
CCCCP(=S)(CCCC)[S-].[Na+]
InChI=1S/C8H19PS2.Na/c1-3-5-7-9(10,11)8-6-4-2;/h3-8H2,1-2H3,(H,10,11);/q;+1/p-1
VVYDGZBJOATDQQ-UHFFFAOYSA-M
C8H18NaPS2
232.3
232.048524
null
33.1
127
0
0
2
6
12
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
1
0
0
ISONONANOIC ACID, NICKEL(2+) SALT
084852-37-9
174,395
bis(7-methyloctanoate);nickel(2+)
CC(C)CCCCCC(=O)[O-].CC(C)CCCCCC(=O)[O-].[Ni+2]
InChI=1S/2C9H18O2.Ni/c2*1-8(2)6-4-3-5-7-9(10)11;/h2*8H,3-7H2,1-2H3,(H,10,11);/q;;+2/p-2
MQECQEPRKLPYHX-UHFFFAOYSA-L
C18H34NiO4
373.2
372.181051
null
80.3
103
0
0
4
10
23
null
null
1
0
0
0
0
1
1
0
0
0
1
0
0
1
1
0
0
1
1
0
3-((bis(2-methylpropoxy)phosphinothioyl)thio)-2-methylpropanoic acid
268567-32-4
57,357,853
3-[bis(2-methylpropoxy)phosphinothioylsulfanyl]-2-methylpropanoic acid
CC(C)COP(=S)(OCC(C)C)SCC(C)C(=O)O
InChI=1S/C12H25O4PS2/c1-9(2)6-15-17(18,16-7-10(3)4)19-8-11(5)12(13)14/h9-11H,6-8H2,1-5H3,(H,13,14)
NPRQLWMILWHEDI-UHFFFAOYSA-N
C12H25O4PS2
328.4
328.093189
4.4
113
305
0
1
6
10
19
null
null
0
0
0
0
0
0
1
1
0
0
0
0
0
0
0
0
0
1
0
0
COBALT LITHIUM MANGANESE NICKEL OXIDE
179802-95-0
169,407,970
dilithium;bis(cobalt(2+));bis(manganese(2+));bis(nickel(2+));heptakis(oxygen(2-))
[Li+].[Li+].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Mn+2].[Mn+2].[Co+2].[Co+2].[Ni+2].[Ni+2]
InChI=1S/2Co.2Li.2Mn.2Ni.7O/q2*+2;2*+1;4*+2;7*-2
FGGMMDCONZKOHF-UHFFFAOYSA-N
Co2Li2Mn2Ni2O7
471.1
469.60957
null
7
0
0
0
7
0
15
null
null
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
1
0
NICKEL IODIDE
013462-90-3
26,038
diiodonickel
[Ni](I)I
InChI=1S/2HI.Ni/h2*1H;/q;;+2/p-2
BFSQJYRFLQUZKX-UHFFFAOYSA-L
I2Ni
312.502
311.74429
null
0
2
0
0
0
0
3
null
null
1
0
0
0
0
1
1
0
0
0
1
0
0
1
1
0
0
1
1
0
MAGNESIUM CHROMATE HYDRATE
016569-85-0
516,851
magnesium;dioxido(dioxo)chromium;hydrate
O.[O-][Cr](=O)(=O)[O-].[Mg+2]
InChI=1S/Cr.Mg.H2O.4O/h;;1H2;;;;/q;+2;;;;2*-1
BWDANDPWLRGULC-UHFFFAOYSA-N
CrH2MgO5
158.31
157.91577
null
81.3
62
0
1
5
0
7
null
null
1
0
0
0
0
1
1
0
0
0
0
0
0
0
0
0
0
1
0
0
ACETYL TRIETHYL CITRATE
000077-89-4
6,504
triethyl 2-acetyloxypropane-1,2,3-tricarboxylate
CCOC(=O)CC(CC(=O)OCC)(C(=O)OCC)OC(=O)C
InChI=1S/C14H22O8/c1-5-19-11(16)8-14(22-10(4)15,13(18)21-7-3)9-12(17)20-6-2/h5-9H2,1-4H3
WEAPVABOECTMGR-UHFFFAOYSA-N
C14H22O8
318.32
318.131468
0.6
105
395
0
0
8
13
22
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
DIBUTYL FUMARATE
000105-75-9
5,271,570
dibutyl (E)-but-2-enedioate
CCCCOC(=O)/C=C/C(=O)OCCCC
InChI=1S/C12H20O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h7-8H,3-6,9-10H2,1-2H3/b8-7+
JBSLOWBPDRZSMB-BQYQJAHWSA-N
C12H20O4
228.28
228.136159
2.7
52.6
209
0
0
4
10
16
null
null
1
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
1
1
0
MERCURIC SULFIDE
001344-48-5
62,402
sulfanylidenemercury
S=[Hg]
InChI=1S/Hg.S
QXKXDIKCIPXUPL-UHFFFAOYSA-N
HgS
232.66
233.942715
null
32.1
2
0
0
1
0
2
null
null
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
1
0
0
SUCCINAMIDE
000110-14-5
8,036
butanediamide
C(CC(=O)N)C(=O)N
InChI=1S/C4H8N2O2/c5-3(7)1-2-4(6)8/h1-2H2,(H2,5,7)(H2,6,8)
SNCZNSNPXMPCGN-UHFFFAOYSA-N
C4H8N2O2
116.12
116.058578
-2.1
86.2
96
0
2
2
3
8
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
ETHYLENE DIMETHACRYLATE
000097-90-5
7,355
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CC(=C)C(=O)OCCOC(=O)C(=C)C
InChI=1S/C10H14O4/c1-7(2)9(11)13-5-6-14-10(12)8(3)4/h1,3,5-6H2,2,4H3
STVZJERGLQHEKB-UHFFFAOYSA-N
C10H14O4
198.22
198.089209
1.9
52.6
237
0
0
4
7
14
101 °C c.c.
260
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
1
POTASSIUM NIOBATE
012030-85-2
166,177,182
octapotassium;hexakis(niobium(5+));nonadecakis(oxygen(2-))
[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[Nb+5].[Nb+5].[Nb+5].[Nb+5].[Nb+5].[Nb+5]
InChI=1S/8K.6Nb.19O/q8*+1;6*+5;19*-2
GCDFIJPZDKYCQY-UHFFFAOYSA-N
K8Nb6O19
1,174.21
1,173.05127
null
19
0
0
0
19
0
33
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
1
0
0
HYDROXYPROPYL METHACRYLATE
027813-02-1
34,023
1-hydroxypropan-2-yl 2-methylprop-2-enoate
CC(CO)OC(=O)C(=C)C
InChI=1S/C7H12O3/c1-5(2)7(9)10-6(3)4-8/h6,8H,1,4H2,2-3H3
ZMARGGQEAJXRFP-UHFFFAOYSA-N
C7H12O3
144.17
144.078644
1.2
46.5
140
0
1
3
4
10
250 °F (USCG, 1999)
Boiling point: 87 °C @ 0.67 kPa; Specific gravity: 1.028 @ 25 °C /2-Hydroxypropyl methacrylate/
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
1
0
0
PYRUVIC ACID SODIUM
000113-24-6
23,662,274
sodium 2-oxopropanoate
CC(=O)C(=O)[O-].[Na+]
InChI=1S/C3H4O3.Na/c1-2(4)3(5)6;/h1H3,(H,5,6);/q;+1/p-1
DAEPDZWVDSPTHF-UHFFFAOYSA-M
C3H3NaO3
110.04
109.997988
null
57.2
88
0
0
3
1
7
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
1
0
0
GALLIUM NITRIDE
025617-97-4
117,559
azanylidynegallane
N#[Ga]
InChI=1S/Ga.N
JMASRVWKEDWRBT-UHFFFAOYSA-N
GaN
83.73
82.92865
null
23.8
10
0
0
1
0
2
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
CERIUM TUNGSTEN OXIDE
013454-74-5
166,812
bis(cerium(3+));nonakis(oxygen(2-));tungsten
[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Ce+3].[Ce+3].[W].[W]
InChI=1S/2Ce.9O.2W/q2*+3;9*-2;;
PMMOMAJHUNGVIB-UHFFFAOYSA-N
Ce2O9W2-12
791.9
793.67043
null
9
0
-12
0
9
0
13
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
ACETALDEHYDE SODIUM BISULFITE
000918-04-7
23,683,752
sodium 1-hydroxyethanesulfonate
CC(O)S(=O)(=O)[O-].[Na+]
InChI=1S/C2H6O4S.Na/c1-2(3)7(4,5)6;/h2-3H,1H3,(H,4,5,6);/q;+1/p-1
CZDZQGXAHZVGPL-UHFFFAOYSA-M
C2H5NaO4S
148.12
147.980624
null
85.8
133
0
1
4
1
8
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
LINOLENIC ACID
000463-40-1
5,280,934
(9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-
DTOSIQBPPRVQHS-PDBXOOCHSA-N
C18H30O2
278.4
278.22458
5.9
37.3
301
0
1
2
13
20
greater than 235 °F (NTP, 1992)
446 °F at 17 mmHg (NTP, 1992)
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
TRIISOBUTYL PHOSPHATE
000126-71-6
31,355
tris(2-methylpropyl) phosphate
CC(C)COP(=O)(OCC(C)C)OCC(C)C
InChI=1S/C12H27O4P/c1-10(2)7-14-17(13,15-8-11(3)4)16-9-12(5)6/h10-12H,7-9H2,1-6H3
HRKAMJBPFPHCSD-UHFFFAOYSA-N
C12H27O4P
266.31
266.164696
3.5
44.8
201
0
0
4
9
17
null
null
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
1
0
0
DL-2-AMINOCAPRYLIC ACID
000644-90-6
69,522
2-aminooctanoic acid
CCCCCCC(C(=O)O)N
InChI=1S/C8H17NO2/c1-2-3-4-5-6-7(9)8(10)11/h7H,2-6,9H2,1H3,(H,10,11)
AKVBCGQVQXPRLD-UHFFFAOYSA-N
C8H17NO2
159.23
159.125929
-0.5
63.3
115
0
2
3
6
11
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
L-NORLEUCINE
000327-57-1
21,236
(2S)-2-aminohexanoic acid
CCCC[C@@H](C(=O)O)N
InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1
LRQKBLKVPFOOQJ-YFKPBYRVSA-N
C6H13NO2
131.17
131.094629
-1.5
63.3
93
0
2
3
4
9
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
L-A-AMINO-N-BUTYRIC ACID
001492-24-6
80,283
(2S)-2-aminobutanoic acid
CC[C@@H](C(=O)O)N
InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
QWCKQJZIFLGMSD-VKHMYHEASA-N
C4H9NO2
103.12
103.063329
-2.5
63.3
72
0
2
3
2
7
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
N-A-ACETYL-L-ARGININE
000155-84-0
67,427
(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoic acid
CC(=O)N[C@@H](CCCN=C(N)N)C(=O)O
InChI=1S/C8H16N4O3/c1-5(13)12-6(7(14)15)3-2-4-11-8(9)10/h6H,2-4H2,1H3,(H,12,13)(H,14,15)(H4,9,10,11)/t6-/m0/s1
SNEIUMQYRCDYCH-LURJTMIESA-N
C8H16N4O3
216.24
216.12224
-1.7
131
261
0
4
4
6
15
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
3-OXO-PENTANEDIOIC ACID DIMETHYL ESTER
001830-54-2
74,591
dimethyl 3-oxopentanedioate
COC(=O)CC(=O)CC(=O)OC
InChI=1S/C7H10O5/c1-11-6(9)3-5(8)4-7(10)12-2/h3-4H2,1-2H3
RNJOKCPFLQMDEC-UHFFFAOYSA-N
C7H10O5
174.15
174.052823
0
69.7
176
0
0
5
6
12
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
2-((3-HYDROXY-2,2-BIS(((1-OXO-2-PROPENYL)OXY)METHYL0PROPOXY)METHYL)-2-(((1-OXO-2-PROPENYL)OXY)METHYL)-1,3-PROPANEDIYL ESTER 2-PROPENOIC ACID
060506-81-2
108,956
[2-(hydroxymethyl)-3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]propyl] prop-2-enoate
C=CC(=O)OCC(CO)(COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)COC(=O)C=C
InChI=1S/C25H32O12/c1-6-19(27)33-14-24(11-26,15-34-20(28)7-2)12-32-13-25(16-35-21(29)8-3,17-36-22(30)9-4)18-37-23(31)10-5/h6-10,26H,1-5,11-18H2
INXWLSDYDXPENO-UHFFFAOYSA-N
C25H32O12
524.5
524.189377
2
161
789
0
1
12
25
37
null
null
0
0
0
0
0
0
1
1
0
0
0
0
0
0
0
0
0
1
0
0
ETHYLENEDIAMINETETRAACETIC ACID DISODIUM NICKEL SALT
011079-07-5
149,739
disodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;nickel(2+)
C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Ni+2]
InChI=1S/C10H16N2O8.2Na.Ni/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;/q;2*+1;+2/p-4
AOBXSTDXJGPLRC-UHFFFAOYSA-J
C10H12N2Na2NiO8
392.88
391.974246
null
167
293
0
0
10
7
23
null
null
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
1
0
0
POLY(DIMETHYLSILOXANE), MONOMETHACRYLOXYPROPYL TERMINATED
146632-07-7
121,233,057
3-[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CC(=C)C(=O)OCCC[Si](C)(C)O[Si](C)(C)OC
InChI=1S/C12H26O4Si2/c1-11(2)12(13)15-9-8-10-17(4,5)16-18(6,7)14-3/h1,8-10H2,2-7H3
XKRNOHIEWSINLH-UHFFFAOYSA-N
C12H26O4Si2
290.5
290.136962
null
44.8
300
0
0
4
9
18
null
null
0
0
0
0
0
0
1
1
0
0
0
0
0
0
0
0
0
1
0
0
2-(METHACRYLOYLOXYETHYL)-2'-((TRIMETHYLAMMONIUM)ETHYL)PHOSPHATE
067881-98-5
128,934
2-(2-methylprop-2-enoyloxy)ethyl 2-(trimethylazaniumyl)ethyl phosphate
CC(=C)C(=O)OCCOP(=O)([O-])OCC[N+](C)(C)C
InChI=1S/C11H22NO6P/c1-10(2)11(13)16-8-9-18-19(14,15)17-7-6-12(3,4)5/h1,6-9H2,2-5H3
ZSZRUEAFVQITHH-UHFFFAOYSA-N
C11H22NO6P
295.27
295.118474
-0.2
84.9
354
0
0
6
10
19
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
(2,2'-AZOBIS(2-METHYL-N-(2-HYDROXYETHYL)PROPIONAMIDE))
061551-69-7
381,605
N-(2-hydroxyethyl)-2-[[1-(2-hydroxyethylamino)-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide
CC(C)(C(=O)NCCO)N=NC(C)(C)C(=O)NCCO
InChI=1S/C12H24N4O4/c1-11(2,9(19)13-5-7-17)15-16-12(3,4)10(20)14-6-8-18/h17-18H,5-8H2,1-4H3,(H,13,19)(H,14,20)
WVFLGSMUPMVNTQ-UHFFFAOYSA-N
C12H24N4O4
288.34
288.179755
-0.9
123
332
0
4
6
8
20
null
null
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
1
0
0
DIVINYL ADIPATE (STABILIZED WITH MEHQ)
004074-90-2
19,997
bis(ethenyl) hexanedioate
C=COC(=O)CCCCC(=O)OC=C
InChI=1S/C10H14O4/c1-3-13-9(11)7-5-6-8-10(12)14-4-2/h3-4H,1-2,5-8H2
JZQAAQZDDMEFGZ-UHFFFAOYSA-N
C10H14O4
198.22
198.089209
1.6
52.6
196
0
0
4
9
14
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
SILICIC ACID (H4SIO4), TETRAKIS(2-ETHYLBUTYL) ESTER
000078-13-7
6,520
tetrakis(2-ethylbutyl) silicate
CCC(CC)CO[Si](OCC(CC)CC)(OCC(CC)CC)OCC(CC)CC
InChI=1S/C24H52O4Si/c1-9-21(10-2)17-25-29(26-18-22(11-3)12-4,27-19-23(13-5)14-6)28-20-24(15-7)16-8/h21-24H,9-20H2,1-8H3
SWQWONXMUXCEDF-UHFFFAOYSA-N
C24H52O4Si
432.8
432.363487
null
36.9
281
0
0
4
20
29
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
HEXANOIC ACID, 2-ETHYL-, ETHENYL ESTER
000094-04-2
62,343
ethenyl 2-ethylhexanoate
CCCCC(CC)C(=O)OC=C
InChI=1S/C10H18O2/c1-4-7-8-9(5-2)10(11)12-6-3/h6,9H,3-5,7-8H2,1-2H3
IGBZOHMCHDADGY-UHFFFAOYSA-N
C10H18O2
170.25
170.13068
3.5
26.3
141
0
0
2
7
12
null
null
1
0
0
0
0
0
1
0
0
0
0
0
0
1
0
0
0
1
0
0
2,6-OCTADIEN-1-OL, 3,7-DIMETHYL-, FORMATE, (E)-
000105-86-2
5,282,109
[(2E)-3,7-dimethylocta-2,6-dienyl] formate
CC(=CCC/C(=C/COC=O)/C)C
InChI=1S/C11H18O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,7,9H,4,6,8H2,1-3H3/b11-7+
FQMZVFJYMPNUCT-YRNVUSSQSA-N
C11H18O2
182.26
182.13068
3.5
26.3
198
0
0
2
6
13
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
3,7-DIMETHYL-7-HYDROXY-1-OCTANAL,
000107-75-5
7,888
7-hydroxy-3,7-dimethyloctanal
CC(CCCC(C)(C)O)CC=O
InChI=1S/C10H20O2/c1-9(6-8-11)5-4-7-10(2,3)12/h8-9,12H,4-7H2,1-3H3
WPFVBOQKRVRMJB-UHFFFAOYSA-N
C10H20O2
172.26
172.14633
1.6
37.3
130
0
1
2
6
12
null
241.00 °C. @ 760.00 mm Hg
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
1
0
0
7-OCTEN-1-OL, 3,7-DIMETHYL-, FORMATE
000141-09-3
61,092
3,7-dimethyloct-7-enyl formate
CC(CCCC(=C)C)CCOC=O
InChI=1S/C11H20O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h9,11H,1,4-8H2,2-3H3
VMBKZHMLQXCNCP-UHFFFAOYSA-N
C11H20O2
184.27
184.14633
4.1
26.3
152
0
0
2
8
13
null
null
0
0
0
0
0
0
1
1
0
0
0
0
0
0
0
0
0
1
0
0
9-UNDECENAL, 2,6,10-TRIMETHYL-
000141-13-9
98,403
2,6,10-trimethylundec-9-enal
CC(CCCC(C)C=O)CCC=C(C)C
InChI=1S/C14H26O/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15/h7,11,13-14H,5-6,8-10H2,1-4H3
UEGBWDUVDAKUGA-UHFFFAOYSA-N
C14H26O
210.36
210.198365
5
17.1
190
0
0
1
8
15
null
null
1
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
1
0
0
L-LEUCINE, METHYL ESTER
002666-93-5
65,105
methyl (2S)-2-amino-4-methylpentanoate
CC(C)C[C@@H](C(=O)OC)N
InChI=1S/C7H15NO2/c1-5(2)4-6(8)7(9)10-3/h5-6H,4,8H2,1-3H3/t6-/m0/s1
QVDXUKJJGUSGLS-LURJTMIESA-N
C7H15NO2
145.2
145.110279
0.9
52.3
112
0
1
3
4
10
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
2,4-NONADIENAL, (E,E)-
005910-87-2
5,283,339
(2E,4E)-nona-2,4-dienal
CCCC/C=C/C=C/C=O
InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h5-9H,2-4H2,1H3/b6-5+,8-7+
ZHHYXNZJDGDGPJ-BSWSSELBSA-N
C9H14O
138.21
138.104465
2.7
17.1
123
0
0
1
5
10
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
2,4-NONADIENAL
006750-03-4
23,203
nona-2,4-dienal
CCCCC=CC=CC=O
InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h5-9H,2-4H2,1H3
ZHHYXNZJDGDGPJ-UHFFFAOYSA-N
C9H14O
138.21
138.104465
2.7
17.1
123
0
0
1
5
10
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
BUTANOIC ACID, 2,4-DIAMINO-, DIHYDROCHLORIDE
006970-28-1
470
2,4-diaminobutanoic acid
C(CN)C(C(=O)O)N
InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)
OGNSCSPNOLGXSM-UHFFFAOYSA-N
C4H10N2O2
118.13
118.074228
-4.6
89.3
84
0
3
4
3
8
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
1
0
0
1-PROPENE, 3-(METHYLTHIO)-
010152-76-8
66,282
3-methylsulfanylprop-1-ene
CSCC=C
InChI=1S/C4H8S/c1-3-4-5-2/h3H,1,4H2,2H3
NVLPQIPTCCLBEU-UHFFFAOYSA-N
C4H8S
88.17
88.034671
1.5
25.3
24
0
0
1
2
5
null
92.00 to 93.00 °C. @ 760.00 mm Hg
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
2-OCTYNOIC ACID, ETHYL ESTER
010519-20-7
66,338
ethyl oct-2-ynoate
CCCCCC#CC(=O)OCC
InChI=1S/C10H16O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-7H2,1-2H3
QPMDWYXUSMRVKT-UHFFFAOYSA-N
C10H16O2
168.23
168.11503
3.5
26.3
183
0
0
2
5
12
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
ETHANAMINIUM, N-ETHYL-N,N-DIMETHYL-2-[(2-METHYL-1-OXO-2-PROPENYL)OXY]-, ETHYL
013223-03-5
83,244
ethyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;ethyl sulfate
CC[N+](C)(C)CCOC(=O)C(=C)C.CCOS(=O)(=O)[O-]
InChI=1S/C10H20NO2.C2H6O4S/c1-6-11(4,5)7-8-13-10(12)9(2)3;1-2-6-7(3,4)5/h2,6-8H2,1,3-5H3;2H2,1H3,(H,3,4,5)/q+1;/p-1
QUUVXPUXYIWGHA-UHFFFAOYSA-M
C12H25NO6S
311.4
311.140259
null
101
301
0
0
6
7
20
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
2-NONYNE, 1,1-DIMETHOXY-
013257-44-8
25,812
1,1-dimethoxynon-2-yne
CCCCCCC#CC(OC)OC
InChI=1S/C11H20O2/c1-4-5-6-7-8-9-10-11(12-2)13-3/h11H,4-8H2,1-3H3
RPJGIPAAHSGBEZ-UHFFFAOYSA-N
C11H20O2
184.27
184.14633
3.3
18.5
159
0
0
2
6
13
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
2,3-HEXANEDIONE, 5-METHYL-
013706-86-0
26,204
5-methylhexane-2,3-dione
CC(C)CC(=O)C(=O)C
InChI=1S/C7H12O2/c1-5(2)4-7(9)6(3)8/h5H,4H2,1-3H3
PQCLJXVUAWLNSV-UHFFFAOYSA-N
C7H12O2
128.17
128.08373
0.9
34.1
125
0
0
2
3
9
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
9-OCTADECENOIC ACID (Z)-, COBALT SALT
014666-94-5
6,440,850
cobalt(2+);(Z)-octadec-9-enoic acid
CCCCCCCC/C=C\CCCCCCCC(=O)O.[Co+2]
InChI=1S/C18H34O2.Co/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h9-10H,2-8,11-17H2,1H3,(H,19,20);/q;+2/b10-9-;
IWNMVERPBFAOPL-KVVVOXFISA-N
C18H34CoO2+2
341.4
341.189074
null
37.3
234
2
1
2
15
21
null
null
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
1
0
0
1,2-ETHANEDIAMINE, PHOSPHATE
014852-17-6
161,093
ethane-1,2-diamine;phosphoric acid
C(CN)N.OP(=O)(O)O
InChI=1S/C2H8N2.H3O4P/c3-1-2-4;1-5(2,3)4/h1-4H2;(H3,1,2,3,4)
ZSFDBVJMDCMTBM-UHFFFAOYSA-N
C2H11N2O4P
158.09
158.045644
null
130
55
0
5
6
1
9
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
ETHANESULFONYL FLUORIDE, 2-[1-[DIFLUORO[(TRIFLUOROETHENYL)OXY]METHYL]-1,2,2,2-
016090-14-5
85,958
1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxyethanesulfonyl fluoride
C(=C(F)F)(OC(C(C(F)(F)F)(OC(C(F)(F)S(=O)(=O)F)(F)F)F)(F)F)F
InChI=1S/C7F14O4S/c8-1(9)2(10)24-5(15,16)3(11,4(12,13)14)25-6(17,18)7(19,20)26(21,22)23
KTCQQCLZUOZFEI-UHFFFAOYSA-N
C7F14O4S
446.12
445.929374
4.7
61
656
0
0
18
7
26
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
1
PHOSPHONIC ACID, [3-[(HYDROXYMETHYL)AMINO]-3-OXOPROPYL]-, DIMETHYL ESTER
020120-33-6
29,959
3-dimethoxyphosphoryl-N-(hydroxymethyl)propanamide
COP(=O)(CCC(=O)NCO)OC
InChI=1S/C6H14NO5P/c1-11-13(10,12-2)4-3-6(9)7-5-8/h8H,3-5H2,1-2H3,(H,7,9)
MCONGYNHPPCHSD-UHFFFAOYSA-N
C6H14NO5P
211.15
211.06096
-1.9
84.9
199
0
2
5
6
13
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
5-OCTEN-1-OL, 6-ETHYL-3-METHYL-
026330-64-3
117,305
6-ethyl-3-methyloct-5-en-1-ol
CCC(=CCC(C)CCO)CC
InChI=1S/C11H22O/c1-4-11(5-2)7-6-10(3)8-9-12/h7,10,12H,4-6,8-9H2,1-3H3
XSFCJNDQFKISFC-UHFFFAOYSA-N
C11H22O
170.29
170.167065
3.5
20.2
121
0
1
1
6
12
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
6-OCTEN-1-OL, 6-ETHYL-3-METHYL-
026330-65-4
117,306
6-ethyl-3-methyloct-6-en-1-ol
CCC(=CC)CCC(C)CCO
InChI=1S/C11H22O/c1-4-11(5-2)7-6-10(3)8-9-12/h4,10,12H,5-9H2,1-3H3
GTLKSTALFRGBQG-UHFFFAOYSA-N
C11H22O
170.29
170.167065
3.6
20.2
127
0
1
1
6
12
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
1
0
0
FORMIC ACID, CHROMIUM(3+) SALT
027115-36-2
117,932
chromium(3+) triformate
C(=O)[O-].C(=O)[O-].C(=O)[O-].[Cr+3]
InChI=1S/3CH2O2.Cr/c3*2-1-3;/h3*1H,(H,2,3);/q;;;+3/p-3
QOWZHEWZFLTYQP-UHFFFAOYSA-K
C3H3CrO6
187.05
186.933468
null
120
7
0
0
6
0
10
null
null
0
0
0
0
0
0
1
1
0
0
0
0
0
0
0
0
0
1
0
0
2-PROPENOIC ACID, 3-[2,2-DIMETHYL-1-OXO-3-[(1-OXO-2-PROPENYL)OXY]PROPOXY]-2,2-
030145-51-8
121,642
(2,2-dimethyl-3-prop-2-enoyloxypropyl) 2,2-dimethyl-3-prop-2-enoyloxypropanoate
CC(C)(COC(=O)C=C)COC(=O)C(C)(C)COC(=O)C=C
InChI=1S/C16H24O6/c1-7-12(17)20-9-15(3,4)10-22-14(19)16(5,6)11-21-13(18)8-2/h7-8H,1-2,9-11H2,3-6H3
ICCCRCJXHNMZPJ-UHFFFAOYSA-N
C16H24O6
312.36
312.157289
3.1
78.9
448
0
0
6
12
22
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
1
0
0
6-METHOXY-2,6-DIMETHYL-HEPTANAL
062439-41-2
112,491
6-methoxy-2,6-dimethylheptanal
CC(CCCC(C)(C)OC)C=O
InChI=1S/C10H20O2/c1-9(8-11)6-5-7-10(2,3)12-4/h8-9H,5-7H2,1-4H3
QMXBURPYNWBMJR-UHFFFAOYSA-N
C10H20O2
172.26
172.14633
1.8
26.3
130
0
0
2
6
12
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
ZINC, HYDROXY(2-METHYL-2-PROPENOATO-O)-
063451-47-8
113,239
2-methylprop-2-enoic acid;zinc;hydrate
CC(=C)C(=O)O.O.[Zn]
InChI=1S/C4H6O2.H2O.Zn/c1-3(2)4(5)6;;/h1H2,2H3,(H,5,6);1H2;
CJSCLERRDWRJGA-UHFFFAOYSA-N
C4H8O3Zn
169.5
167.976486
null
38.3
89
0
2
3
1
8
null
null
1
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
1
0
0
.BETA.-ALANINE, N-(2-HYDROXYETHYL)-N-[2-[(1-OXOOCTYL)AMINO]ETHYL]-
064265-45-8
116,569
3-[2-hydroxyethyl-[2-(octanoylamino)ethyl]amino]propanoic acid
CCCCCCCC(=O)NCCN(CCC(=O)O)CCO
InChI=1S/C15H30N2O4/c1-2-3-4-5-6-7-14(19)16-9-11-17(12-13-18)10-8-15(20)21/h18H,2-13H2,1H3,(H,16,19)(H,20,21)
OKFFNIVTSMRGQI-UHFFFAOYSA-N
C15H30N2O4
302.41
302.220557
-0.9
89.9
285
0
3
5
14
21
null
null
0
0
0
0
0
0
1
1
0
0
0
0
0
0
0
0
0
1
0
0
2-PROPANOL, 1-(TERT-DODECYLTHIO)-
067124-09-8
106,704
1-(9,9-dimethyldecylsulfanyl)propan-2-ol
CC(CSCCCCCCCCC(C)(C)C)O
InChI=1S/C15H32OS/c1-14(16)13-17-12-10-8-6-5-7-9-11-15(2,3)4/h14,16H,5-13H2,1-4H3
XROXSXGRRMHJFJ-UHFFFAOYSA-N
C15H32OS
260.5
260.217387
5.8
45.5
163
0
1
2
11
17
null
null
1
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
1
0
0
2-PROPENOIC ACID, 2-[METHYL[(NONAFLUOROBUTYL)SULFONYL]AMINO]ETHYL ESTER
067584-55-8
105,447
2-[methyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]ethyl prop-2-enoate
CN(CCOC(=O)C=C)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI=1S/C10H10F9NO4S/c1-3-6(21)24-5-4-20(2)25(22,23)10(18,19)8(13,14)7(11,12)9(15,16)17/h3H,1,4-5H2,2H3
KEMCLRGAIUJRAN-UHFFFAOYSA-N
C10H10F9NO4S
411.24
411.018682
3.2
72.1
609
0
0
14
9
25
null
null
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
1
0
0
2-PROPENOIC ACID, 2-METHYL-, 2-[METHYL[(NONAFLUOROBUTYL)SULFONYL]AMINO]ETHYL E
067584-59-2
105,452
2-[methyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]ethyl 2-methylprop-2-enoate
CC(=C)C(=O)OCCN(C)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI=1S/C11H12F9NO4S/c1-6(2)7(22)25-5-4-21(3)26(23,24)11(19,20)9(14,15)8(12,13)10(16,17)18/h1,4-5H2,2-3H3
BEIWUHUHJDEMQO-UHFFFAOYSA-N
C11H12F9NO4S
425.27
425.034333
3.6
72.1
652
0
0
14
9
26
null
null
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
1
0
0
1-PROPENE, 3-[2-(2-METHOXYPROPOXY)PROPOXY]-
068039-31-6
107,063
2-(2-methoxypropoxy)-1-prop-2-enoxypropane
CC(COCC=C)OCC(C)OC
InChI=1S/C10H20O3/c1-5-6-12-7-10(3)13-8-9(2)11-4/h5,9-10H,1,6-8H2,2-4H3
ZSHQZORCSTVWLF-UHFFFAOYSA-N
C10H20O3
188.26
188.141245
1.3
27.7
125
0
0
3
8
13
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
3-UNDECEN-2-ONE, 10-HYDROXY-3,6,10-TRIMETHYL-
068141-19-5
109,185
10-hydroxy-3,6,10-trimethylundec-3-en-2-one
CC(CCCC(C)(C)O)CC=C(C)C(=O)C
InChI=1S/C14H26O2/c1-11(7-6-10-14(4,5)16)8-9-12(2)13(3)15/h9,11,16H,6-8,10H2,1-5H3
ZYZZYMDGACMDKZ-UHFFFAOYSA-N
C14H26O2
226.35
226.19328
3
37.3
251
0
1
2
7
16
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
1
0
0
BUTANEDIOIC ACID, [(DIPROPOXYPHOSPHINOTHIOYL)THIO]-, DIBUTYL ESTER
068413-47-8
109,346
dibutyl 2-dipropoxyphosphinothioylsulfanylbutanedioate
CCCCOC(=O)CC(C(=O)OCCCC)SP(=S)(OCCC)OCCC
InChI=1S/C18H35O6PS2/c1-5-9-13-21-17(19)15-16(18(20)22-14-10-6-2)27-25(26,23-11-7-3)24-12-8-4/h16H,5-15H2,1-4H3
HSVNXSQHXKNAOX-UHFFFAOYSA-N
C18H35O6PS2
442.6
442.161268
5.9
128
449
0
0
8
19
27
null
null
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
1
0
0
BUTANEDIOIC ACID, [[BIS[(2-ETHYLHEXYL)OXY]PHOSPHINOTHIOYL]THIO]-, DIBUTYL ESTE
068413-48-9
109,347
dibutyl 2-[bis(2-ethylhexoxy)phosphinothioylsulfanyl]butanedioate
CCCCC(CC)COP(=S)(OCC(CC)CCCC)SC(CC(=O)OCCCC)C(=O)OCCCC
InChI=1S/C28H55O6PS2/c1-7-13-17-24(11-5)22-33-35(36,34-23-25(12-6)18-14-8-2)37-26(28(30)32-20-16-10-4)21-27(29)31-19-15-9-3/h24-26H,7-23H2,1-6H3
DHEMFBSSQAFTOU-UHFFFAOYSA-N
C28H55O6PS2
582.8
582.317769
10.2
128
610
0
0
8
27
37
null
null
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
1
0
0
5-OCTEN-4-ONE, 2,7-DIMETHYL-
068419-46-5
1,738,173
(E)-2,7-dimethyloct-5-en-4-one
CC(C)CC(=O)/C=C/C(C)C
InChI=1S/C10H18O/c1-8(2)5-6-10(11)7-9(3)4/h5-6,8-9H,7H2,1-4H3/b6-5+
CZOUKEVZSCNCAE-AATRIKPKSA-N
C10H18O
154.25
154.135765
2.8
17.1
143
0
0
1
4
11
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0