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89860-32-2 | 2-Heptenoic acid, 3-methyl-5-(2-pyridinyl)-, ethyl ester, (Z)-
CAS No: 89860-32-2 Catalog No: AG003X2I MDL No:
Product Description
Catalog Number:
AG003X2I
Chemical Name:
2-Heptenoic acid, 3-methyl-5-(2-pyridinyl)-, ethyl ester, (Z)-
CAS Number:
89860-32-2
Molecular Formula:
C15H21NO2
Molecular Weight:
247.3327
IUPAC Name:
ethyl 3-methyl-5-pyridin-2-ylhept-2-enoate
InChI:
InChI=1S/C15H21NO2/c1-4-13(14-8-6-7-9-16-14)10-12(3)11-15(17)18-5-2/h6-9,11,13H,4-5,10H2,1-3H3
InChI Key:
OAVAEYWCWGBCME-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C=C(\CC(c1ccccn1)CC)/C
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.157g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.338g/mol
Monoisotopic Mass:
247.157g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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