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148981-17-3 | 9,11,15-Octadecatrienoic acid, 13-oxo-, (9Z,11E,15Z)-
CAS No: 148981-17-3 Catalog No: AG001LBA MDL No:
Product Description
Catalog Number:
AG001LBA
Chemical Name:
9,11,15-Octadecatrienoic acid, 13-oxo-, (9Z,11E,15Z)-
CAS Number:
148981-17-3
Molecular Formula:
C18H28O3
Molecular Weight:
292.4131
IUPAC Name:
13-oxooctadeca-9,11,15-trienoic acid
InChI:
InChI=1S/C18H28O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h3,7,9,11-12,15H,2,4-6,8,10,13-14,16H2,1H3,(H,20,21)
InChI Key:
BNMYUQILBYIYOG-UHFFFAOYSA-N
SMILES:
CC/C=C\CC(=O)/C=C/C=C\CCCCCCCC(=O)O
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.204g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.419g/mol
Monoisotopic Mass:
292.204g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
XLogP3:
4.7
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