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145298-78-8 | 7,9,13-Hexadecatrienoic acid, 11-hydroperoxy-, (7Z,9E,11S,13Z)-
CAS No: 145298-78-8 Catalog No: AG001KRE MDL No:
Product Description
Catalog Number:
AG001KRE
Chemical Name:
7,9,13-Hexadecatrienoic acid, 11-hydroperoxy-, (7Z,9E,11S,13Z)-
CAS Number:
145298-78-8
Molecular Formula:
C16H26O4
Molecular Weight:
282.3752
IUPAC Name:
(7Z,9E,11S,13Z)-11-hydroperoxyhexadeca-7,9,13-trienoic acid
InChI:
InChI=1S/C16H26O4/c1-2-3-9-12-15(20-19)13-10-7-5-4-6-8-11-14-16(17)18/h3,5,7,9-10,13,15,19H,2,4,6,8,11-12,14H2,1H3,(H,17,18)/b7-5-,9-3-,13-10+/t15-/m0/s1
InChI Key:
QGFJJRVMZCFGTD-FYXZBIJLSA-N
SMILES:
CC/C=C\C[C@@H](/C=C/C=C\CCCCCC(=O)O)OO
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
3
Exact Mass:
282.183g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
282.38g/mol
Monoisotopic Mass:
282.183g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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