Name: Name:3-Pyridinecarboxylic acid, 1,4-dihydro-4-oxo-, ethyl ester
Brand: Angene
SKU: AG0005FX
Rating: 90 (10 reviews)

3-Pyridinecarboxylic acid, 1,4-dihydro-4-oxo-, ethyl ester

CAS No.:

10177-34-1

Catalog Number:

AG0005FX

Molecular Formula:

C8H9NO3

Molecular Weight:

167.1620

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

MDL Number:

MFCD08276126

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

Complexity:

266

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

167.058g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

167.164g/mol

Monoisotopic Mass:

167.058g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.6