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13222-49-6 | 8,11,13-Eicosatrienoic acid, 15-hydroxy-, (8Z,11Z,13E)-
CAS No: 13222-49-6 Catalog No: AG0010EM MDL No:MFCD00084835
Product Description
Catalog Number:
AG0010EM
Chemical Name:
8,11,13-Eicosatrienoic acid, 15-hydroxy-, (8Z,11Z,13E)-
CAS Number:
13222-49-6
Molecular Formula:
C20H34O3
Molecular Weight:
322.4822
MDL Number:
MFCD00084835
IUPAC Name:
15-hydroxyicosa-8,11,13-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/h4-5,9,11,14,17,19,21H,2-3,6-8,10,12-13,15-16,18H2,1H3,(H,22,23)
InChI Key:
IUKXMNDGTWTNTP-UHFFFAOYSA-N
SMILES:
CCCCCC(/C=C/C=C\C/C=C\CCCCCCC(=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:
5.7
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