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Home > Pyridines > 123293-78-7
123293-78-7 | 2-Propenoic acid, 3-(4-pyridinyl)-, ethyl ester, (2E)-
CAS No: 123293-78-7 Catalog No: AG000KA1 MDL No:
Product Description
Catalog Number:
AG000KA1
Chemical Name:
2-Propenoic acid, 3-(4-pyridinyl)-, ethyl ester, (2E)-
CAS Number:
123293-78-7
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
IUPAC Name:
ethyl (E)-3-pyridin-4-ylprop-2-enoate
InChI:
InChI=1S/C10H11NO2/c1-2-13-10(12)4-3-9-5-7-11-8-6-9/h3-8H,2H2,1H3/b4-3+
InChI Key:
ABZPCWYIRGIXJP-ONEGZZNKSA-N
SMILES:
CCOC(=O)/C=C/c1ccncc1
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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