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15514-86-0 | 8,12,14-Eicosatrienoic acid, 11-hydroxy-
CAS No: 15514-86-0 Catalog No: AG001NNX MDL No:
Product Description
Catalog Number:
AG001NNX
Chemical Name:
8,12,14-Eicosatrienoic acid, 11-hydroxy-
CAS Number:
15514-86-0
Molecular Formula:
C20H34O3
Molecular Weight:
322.4822
IUPAC Name:
11-hydroxyicosa-8,12,14-trienoic acid
InChI:
InChI=1S/C20H34O3/c1-2-3-4-5-7-10-13-16-19(21)17-14-11-8-6-9-12-15-18-20(22)23/h7,10-11,13-14,16,19,21H,2-6,8-9,12,15,17-18H2,1H3,(H,22,23)
InChI Key:
JNXXVEYCRGFXTN-UHFFFAOYSA-N
SMILES:
CCCCCC=CC=CC(CC=CCCCCCCC(=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:
5.9
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