2-Acetylnicotinic acid

89942-59-6

CAS Name

2-Acetyl-3-pyridinecarboxylic acid

Molecular Formula

C₈H₇NO₃

Molecular Mass

165.15

Compound Properties

• Melting Point (1)

  126-127 °C

Source(s)

• (1) Ochiai, Eiji; Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen, (1937), 70B, 2018-23, CAplus

Other Names and Identifiers

InChI

InChI=1S/C8H7NO3/c1-5(10)7-6(8(11)12)3-2-4-9-7/h2-4H,1H3,(H,11,12)

InChIKey

InChIKey=JYUCDFZMJMRPHS-UHFFFAOYSA-N

SMILES

C(O)(=O)C1=C(C(C)=O)N=CC=C1

Canonical SMILES

O=C(O)C1=CC=CN=C1C(=O)C

Other Names for this Substance