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189938-85-0 | 9,12,16-Octadecatrienoic acid, 15-hydroperoxy-, (9Z,12Z,16E)-
CAS No: 189938-85-0 Catalog No: AG002E4Z MDL No:
Product Description
Catalog Number:
AG002E4Z
Chemical Name:
9,12,16-Octadecatrienoic acid, 15-hydroperoxy-, (9Z,12Z,16E)-
CAS Number:
189938-85-0
Molecular Formula:
C18H30O4
Molecular Weight:
310.4284
IUPAC Name:
15-hydroperoxyoctadeca-9,12,16-trienoic acid
InChI:
InChI=1S/C18H30O4/c1-2-14-17(22-21)15-12-10-8-6-4-3-5-7-9-11-13-16-18(19)20/h2,4,6,10,12,14,17,21H,3,5,7-9,11,13,15-16H2,1H3,(H,19,20)
InChI Key:
AVESCBADRYZABP-UHFFFAOYSA-N
SMILES:
C/C=C/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:
4.7
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