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13309-77-8 | 9,15-octadecadienoic acid
CAS No: 13309-77-8 Catalog No: AG00148W MDL No:
Product Description
Catalog Number:
AG00148W
Chemical Name:
9,15-octadecadienoic acid
CAS Number:
13309-77-8
Molecular Formula:
C18H32O2
Molecular Weight:
280.4455
IUPAC Name:
(9E,15E)-octadeca-9,15-dienoic acid
InChI:
InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,9-10H,2,5-8,11-17H2,1H3,(H,19,20)/b4-3+,10-9+
InChI Key:
AWGFYZFANDHELM-SCPMJEMWSA-N
SMILES:
CCC=CCCCCC=CCCCCCCCC(=O)O
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
280.24g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.452g/mol
Monoisotopic Mass:
280.24g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
Literature
| Title | Journal |
|---|---|
| Overexpression of a FAD3 desaturase increases synthesis of a polymethylene-interrupted dienoic fatty acid in seeds of Arabidopsis thaliana L. | Lipids 20090801 |
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