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3047-65-2 | 9-Octadecenoic acid, 12-oxo-, methyl ester, (9Z)-
CAS No: 3047-65-2 Catalog No: AG00308Y MDL No:
Product Description
Catalog Number:
AG00308Y
Chemical Name:
9-Octadecenoic acid, 12-oxo-, methyl ester, (9Z)-
CAS Number:
3047-65-2
Molecular Formula:
C19H34O3
Molecular Weight:
310.4715
IUPAC Name:
methyl 12-oxooctadec-9-enoate
InChI:
InChI=1S/C19H34O3/c1-3-4-5-12-15-18(20)16-13-10-8-6-7-9-11-14-17-19(21)22-2/h10,13H,3-9,11-12,14-17H2,1-2H3
InChI Key:
DIPHDXIHMQRKSX-UHFFFAOYSA-N
SMILES:
CCCCCCC(=O)C/C=C\CCCCCCCC(=O)OC
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.251g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.478g/mol
Monoisotopic Mass:
310.251g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.6
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