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137483-91-1 | Octadecadienoic acid, 13-hydroperoxy-, methyl ester (9CI)
CAS No: 137483-91-1 Catalog No: AG0013CY MDL No:
Product Description
Catalog Number:
AG0013CY
Chemical Name:
Octadecadienoic acid, 13-hydroperoxy-, methyl ester (9CI)
CAS Number:
137483-91-1
Molecular Formula:
C19H34O4
Molecular Weight:
326.4709
IUPAC Name:
methyl 13-hydroperoxyoctadeca-2,4-dienoate
InChI:
InChI=1S/C19H34O4/c1-3-4-12-15-18(23-21)16-13-10-8-6-5-7-9-11-14-17-19(20)22-2/h9,11,14,17-18,21H,3-8,10,12-13,15-16H2,1-2H3
InChI Key:
YCBBIVJIKKQADD-UHFFFAOYSA-N
SMILES:
CCCCCC(CCCCCCCC=CC=CC(=O)OC)OO
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.246g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.477g/mol
Monoisotopic Mass:
326.246g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
2
XLogP3:
6.1
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