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Home > Other Building Blocks > 197635-25-9
197635-25-9 | 8,13-Octadecadienoic acid, (8E,13Z)-
CAS No: 197635-25-9 Catalog No: AG002AXT MDL No:
Product Description
Catalog Number:
AG002AXT
Chemical Name:
8,13-Octadecadienoic acid, (8E,13Z)-
CAS Number:
197635-25-9
Molecular Formula:
C18H32O2
Molecular Weight:
280.4455
IUPAC Name:
octadeca-8,13-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/h5-6,10-11H,2-4,7-9,12-17H2,1H3,(H,19,20)
InChI Key:
LBQWDYLLVDXBDY-UHFFFAOYSA-N
SMILES:
CCCC/C=C\CCC/C=C/CCCCCCC(=O)O
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
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:
2
XLogP3:
6.3
Literature
| Title | Journal |
|---|---|
| New 2-methyl-13-icosenoic acid from the temperate calcisponge Leuconia johnstoni. | Lipids 20120401 |
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