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139328-88-4 | 5,8,11-Eicosatrienoic acid, 15-hydroxy-, (Z,Z,Z)- (9CI)
CAS No: 139328-88-4 Catalog No: AG001ARQ MDL No:
Product Description
Catalog Number:
AG001ARQ
Chemical Name:
5,8,11-Eicosatrienoic acid, 15-hydroxy-, (Z,Z,Z)- (9CI)
CAS Number:
139328-88-4
Molecular Formula:
C20H34O3
Molecular Weight:
322.4822
IUPAC Name:
15-hydroxyicosa-5,8,11-trienoic acid
InChI:
InChI=1S/C20H34O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,19,21H,2-3,6-7,12-18H2,1H3,(H,22,23)
InChI Key:
PDNHDUWAXCDVOP-UHFFFAOYSA-N
SMILES:
CCCCCC(CC/C=C\C/C=C\C/C=C\CCCC(=O)O)O
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.251g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
322.489g/mol
Monoisotopic Mass:
322.251g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
3
XLogP3:
5.3
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