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10177-34-1 | 3-Pyridinecarboxylic acid, 1,4-dihydro-4-oxo-, ethyl ester
CAS No: 10177-34-1 Catalog No: AG0005FX MDL No:
Product Description
Catalog Number:
AG0005FX
Chemical Name:
3-Pyridinecarboxylic acid, 1,4-dihydro-4-oxo-, ethyl ester
CAS Number:
10177-34-1
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
IUPAC Name:
ethyl 4-oxo-1H-pyridine-3-carboxylate
InChI:
InChI=1S/C8H9NO3/c1-2-12-8(11)6-5-9-4-3-7(6)10/h3-5H,2H2,1H3,(H,9,10)
InChI Key:
ADNXCHQUIPXULO-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c[nH]ccc1=O
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.058g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.164g/mol
Monoisotopic Mass:
167.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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