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141493-54-1 | 11,13-Octadecadienoic acid, 10,15-dioxo-, methyl ester, (E,E)- (9CI)
CAS No: 141493-54-1 Catalog No: AG001GHO MDL No:
Product Description
Catalog Number:
AG001GHO
Chemical Name:
11,13-Octadecadienoic acid, 10,15-dioxo-, methyl ester, (E,E)- (9CI)
CAS Number:
141493-54-1
Molecular Formula:
C19H30O4
Molecular Weight:
322.4391
IUPAC Name:
methyl 10,15-dioxooctadeca-11,13-dienoate
InChI:
InChI=1S/C19H30O4/c1-3-12-17(20)14-10-11-15-18(21)13-8-6-4-5-7-9-16-19(22)23-2/h10-11,14-15H,3-9,12-13,16H2,1-2H3
InChI Key:
DAJAXKFPQSGDHT-UHFFFAOYSA-N
SMILES:
CCCC(=O)/C=C/C=C/C(=O)CCCCCCCCC(=O)OC
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.214g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.445g/mol
Monoisotopic Mass:
322.214g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
4
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