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23324-71-2 | 10,12-Octadecadienoic acid, 9-hydroxy-, methyl ester
CAS No: 23324-71-2 Catalog No: AG002MUV MDL No:
Product Description
Catalog Number:
AG002MUV
Chemical Name:
10,12-Octadecadienoic acid, 9-hydroxy-, methyl ester
CAS Number:
23324-71-2
Molecular Formula:
C19H34O3
Molecular Weight:
310.4715
IUPAC Name:
methyl 9-hydroxyoctadeca-10,12-dienoate
InChI:
InChI=1S/C19H34O3/c1-3-4-5-6-7-9-12-15-18(20)16-13-10-8-11-14-17-19(21)22-2/h7,9,12,15,18,20H,3-6,8,10-11,13-14,16-17H2,1-2H3
InChI Key:
WRXGTVUDZZBNPN-UHFFFAOYSA-N
SMILES:
CCCCCC=CC=CC(CCCCCCCC(=O)OC)O
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:
1
Isotope Atom Count:
0
Molecular Weight:
310.478g/mol
Monoisotopic Mass:
310.251g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
2
XLogP3:
5.7
Literature
| Title | Journal |
|---|---|
| Synthesis and biological activity of hydroxylated derivatives of linoleic acid and conjugated linoleic acids. | Chemistry and physics of lipids 20090301 |
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