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13283-68-6 | Octadecanoic acid, bismuth(3+) salt (3:1)
CAS No: 13283-68-6 Catalog No: AG00118R MDL No:
Product Description
Catalog Number:
AG00118R
Chemical Name:
Octadecanoic acid, bismuth(3+) salt (3:1)
CAS Number:
13283-68-6
Molecular Formula:
C54H105BiO6
Molecular Weight:
1059.3883
IUPAC Name:
bismuth;octadecanoate
InChI:
InChI=1S/3C18H36O2.Bi/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3*2-17H2,1H3,(H,19,20);/q;;;+3/p-3
InChI Key:
GRBFCEINWFRDOG-UHFFFAOYSA-K
SMILES:
CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Bi+3]
EC Number:
236-296-5
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1058.772g/mol
Formal Charge:
0
Heavy Atom Count:
61
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
1059.408g/mol
Monoisotopic Mass:
1058.772g/mol
Rotatable Bond Count:
45
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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