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81325-64-6 | 9,13,15-Octadecatrienoic acid, 12-hydroxy-, (9Z,13E,15Z)-
CAS No: 81325-64-6 Catalog No: AG005340 MDL No:
Product Description
Catalog Number:
AG005340
Chemical Name:
9,13,15-Octadecatrienoic acid, 12-hydroxy-, (9Z,13E,15Z)-
CAS Number:
81325-64-6
Molecular Formula:
C18H30O3
Molecular Weight:
294.4290
IUPAC Name:
12-hydroxyoctadeca-9,13,15-trienoic acid
InChI:
InChI=1S/C18H30O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h3-4,9,11-12,14,17,19H,2,5-8,10,13,15-16H2,1H3,(H,20,21)
InChI Key:
WOZLPPGKSWZLBI-UHFFFAOYSA-N
SMILES:
CC/C=C\C=C\C(C/C=C\CCCCCCCC(=O)O)O
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.219g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
294.435g/mol
Monoisotopic Mass:
294.219g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
3
XLogP3:
4.8
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