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81124-48-3 | 2-Propenoic acid, 3-(3-pyridinyl)-, methyl ester, (E)-
CAS No: 81124-48-3 Catalog No: AG005GDQ MDL No:
Product Description
Catalog Number:
AG005GDQ
Chemical Name:
2-Propenoic acid, 3-(3-pyridinyl)-, methyl ester, (E)-
CAS Number:
81124-48-3
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
IUPAC Name:
methyl 3-pyridin-3-ylprop-2-enoate
InChI:
InChI=1S/C9H9NO2/c1-12-9(11)5-4-8-3-2-6-10-7-8/h2-7H,1H3
InChI Key:
APCQGKVIYRVRKN-UHFFFAOYSA-N
SMILES:
COC(=O)/C=C/c1cccnc1
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.1
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