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101973-23-3 | 5,8,10,14,17-Eicosapentaenoic acid, 12-hydroperoxy-, (5Z,8Z,10E,14Z,17Z)-
CAS No: 101973-23-3 Catalog No: AG00064M MDL No:
Product Description
Catalog Number:
AG00064M
Chemical Name:
5,8,10,14,17-Eicosapentaenoic acid, 12-hydroperoxy-, (5Z,8Z,10E,14Z,17Z)-
CAS Number:
101973-23-3
Molecular Formula:
C20H30O4
Molecular Weight:
334.4498
IUPAC Name:
12-hydroperoxyicosa-5,8,10,14,17-pentaenoic acid
InChI:
InChI=1S/C20H30O4/c1-2-3-4-5-10-13-16-19(24-23)17-14-11-8-6-7-9-12-15-18-20(21)22/h3-4,7-11,13-14,17,19,23H,2,5-6,12,15-16,18H2,1H3,(H,21,22)
InChI Key:
HDMYXONNVAOHFR-UHFFFAOYSA-N
SMILES:
CC/C=C\C/C=C\CC(/C=C/C=C\C/C=C\CCCC(=O)O)OO
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.214g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
334.456g/mol
Monoisotopic Mass:
334.214g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
5
XLogP3:
4.5
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