Name: Name:3-Pyridinecarboxylic acid, 1,6-dihydro-6-oxo-, phenylmethyl ester
Brand: Angene
SKU: AG002F2K
Rating: 90 (10 reviews)

3-Pyridinecarboxylic acid, 1,6-dihydro-6-oxo-, phenylmethyl ester

CAS No.:

191157-01-4

Catalog Number:

AG002F2K

Molecular Formula:

C13H11NO3

Molecular Weight:

229.2313

Catalog Number:

AG002F2K

Chemical Name:

3-Pyridinecarboxylic acid, 1,6-dihydro-6-oxo-, phenylmethyl ester

CAS Number:

191157-01-4

Molecular Formula:

C13H11NO3

Molecular Weight:

229.2313

MDL Number:

MFCD02683072

IUPAC Name:

benzyl 6-oxo-1H-pyridine-3-carboxylate

InChI:

InChI=1S/C13H11NO3/c15-12-7-6-11(8-14-12)13(16)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,14,15)

InChI Key:

HGBIRINXNOIQIR-UHFFFAOYSA-N

SMILES:

O=C(c1ccc(=O)[nH]c1)OCc1ccccc1

Complexity:

365

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

229.074g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

229.235g/mol

Monoisotopic Mass:

229.074g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3