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115330-89-7 | 5,8,12,14,17-Eicosapentaenoic acid, 11-hydroxy-16-oxo-, (5Z,8Z,12E,14E,17E)-
CAS No: 115330-89-7 Catalog No: AG000GMO MDL No:
Product Description
Catalog Number:
AG000GMO
Chemical Name:
5,8,12,14,17-Eicosapentaenoic acid, 11-hydroxy-16-oxo-, (5Z,8Z,12E,14E,17E)-
CAS Number:
115330-89-7
Molecular Formula:
C20H28O4
Molecular Weight:
332.4339
IUPAC Name:
11-hydroxy-16-oxoicosa-5,8,12,14,17-pentaenoic acid
InChI:
InChI=1S/C20H28O4/c1-2-3-13-18(21)15-11-12-16-19(22)14-9-7-5-4-6-8-10-17-20(23)24/h3-4,6-7,9,11-13,15-16,19,22H,2,5,8,10,14,17H2,1H3,(H,23,24)
InChI Key:
ZHQGOCLBNWZRIU-UHFFFAOYSA-N
SMILES:
CC/C=C/C(=O)/C=C/C=C/C(C/C=C\C/C=C\CCCC(=O)O)O
Properties
Complexity:
496
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.199g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
332.44g/mol
Monoisotopic Mass:
332.199g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
5
XLogP3:
3.5
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