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28675-12-9 | Octadecanoic acid, hydroxy-, sodium salt (1:1)
CAS No: 28675-12-9 Catalog No: AG002W1S MDL No:
Product Description
Catalog Number:
AG002W1S
Chemical Name:
Octadecanoic acid, hydroxy-, sodium salt (1:1)
CAS Number:
28675-12-9
Molecular Formula:
C18H35NaO3
Molecular Weight:
322.4585
IUPAC Name:
octadecaneperoxoic acid;sodium
InChI:
InChI=1S/C18H36O3.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)21-20;/h20H,2-17H2,1H3;
InChI Key:
UAZACEXAAKEYSV-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCC(C(=O)[O-])O.[Na+]
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.256g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.473g/mol
Monoisotopic Mass:
323.256g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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