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5331-77-1 | sodium docosanoate
CAS No: 5331-77-1 Catalog No: AG003UCC MDL No:
Product Description
Catalog Number:
AG003UCC
Chemical Name:
sodium docosanoate
CAS Number:
5331-77-1
Molecular Formula:
C22H43NaO2
Molecular Weight:
362.5654
IUPAC Name:
sodium;docosanoate
InChI:
InChI=1S/C22H44O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;/h2-21H2,1H3,(H,23,24);/q;+1/p-1
InChI Key:
CVYDEWKUJFCYJO-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].[Na+]
EC Number:
226-234-5
UNII:
H4W8BMK72F
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.316g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
362.574g/mol
Monoisotopic Mass:
362.316g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
40.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
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