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114529-68-9 | Heptadecadienoic acid, methyl ester, (Z,Z)- (9CI)
CAS No: 114529-68-9 Catalog No: AG000ENZ MDL No:
Product Description
Catalog Number:
AG000ENZ
Chemical Name:
Heptadecadienoic acid, methyl ester, (Z,Z)- (9CI)
CAS Number:
114529-68-9
Molecular Formula:
C18H32O2
Molecular Weight:
280.4455
IUPAC Name:
methyl heptadeca-2,4-dienoate
InChI:
InChI=1S/C18H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-2/h14-17H,3-13H2,1-2H3
InChI Key:
MNDHVJPEFKRLKH-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCC/C=C\C=C/C(=O)OC
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.24g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.452g/mol
Monoisotopic Mass:
280.24g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
7.4
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