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Home > Other Building Blocks > 102622-88-8
102622-88-8 | 9,12-Octadecadienoic acid, 8-hydroxy-, (9Z,12Z)-
CAS No: 102622-88-8 Catalog No: AG0007YV MDL No:
Product Description
Catalog Number:
AG0007YV
Chemical Name:
9,12-Octadecadienoic acid, 8-hydroxy-, (9Z,12Z)-
CAS Number:
102622-88-8
Molecular Formula:
C18H32O3
Molecular Weight:
296.4449
IUPAC Name:
8-hydroxyoctadeca-9,12-dienoic acid
InChI:
InChI=1S/C18H32O3/c1-2-3-4-5-6-7-8-11-14-17(19)15-12-9-10-13-16-18(20)21/h6-7,11,14,17,19H,2-5,8-10,12-13,15-16H2,1H3,(H,20,21)
InChI Key:
UKRXAPMQXXXXTD-UHFFFAOYSA-N
SMILES:
CCCCC/C=C\C/C=C\C(CCCCCCC(=O)O)O
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.235g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
296.451g/mol
Monoisotopic Mass:
296.235g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
2
XLogP3:
5.1
Literature
| Title | Journal |
|---|---|
| Steric analysis of 8-hydroxy- and 10-hydroxyoctadecadienoic acids and dihydroxyoctadecadienoic acids formed from 8R-hydroperoxyoctadecadienoic acid by hydroperoxide isomerases. | Analytical biochemistry 20070815 |
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