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123372-20-3 | 9,12,14-Octadecatrienoic acid, 16-hydroperoxy-, (9Z,12Z,14E)-
CAS No: 123372-20-3 Catalog No: AG000KH8 MDL No:
Product Description
Catalog Number:
AG000KH8
Chemical Name:
9,12,14-Octadecatrienoic acid, 16-hydroperoxy-, (9Z,12Z,14E)-
CAS Number:
123372-20-3
Molecular Formula:
C18H30O4
Molecular Weight:
310.4284
IUPAC Name:
16-hydroperoxyoctadeca-9,12,14-trienoic acid
InChI:
InChI=1S/C18H30O4/c1-2-17(22-21)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h3,5,9,11,13,15,17,21H,2,4,6-8,10,12,14,16H2,1H3,(H,19,20)
InChI Key:
RKSYUYCKHRVFNL-UHFFFAOYSA-N
SMILES:
CCC(/C=C/C=C\C/C=C\CCCCCCCC(=O)O)OO
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.214g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
310.434g/mol
Monoisotopic Mass:
310.214g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
3
XLogP3:
4.9
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