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13308-40-2 | 9-Octadecenoic acid (9Z)-, chromium salt (1:?)
CAS No: 13308-40-2 Catalog No: AG00148B MDL No:
Product Description
Catalog Number:
AG00148B
Chemical Name:
9-Octadecenoic acid (9Z)-, chromium salt (1:?)
CAS Number:
13308-40-2
Molecular Formula:
C54H99CrO6
Molecular Weight:
896.3564
IUPAC Name:
chromium(2+);(Z)-octadec-9-enoate
InChI:
InChI=1S/2C18H34O2.Cr/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;+2/p-2/b2*10-9-;
InChI Key:
WPSQRTGRMULBOX-CVBJKYQLSA-L
SMILES:
CCCCCCCC/C=C\CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[Cr+3]
EC Number:
236-336-1
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
614.437g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
614.916g/mol
Monoisotopic Mass:
614.437g/mol
Rotatable Bond Count:
28
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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