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CAS Number: 89942-59-6
2-acetylnicotinic acid

Structure

2-acetylnicotinic acid
Name: 2-acetylnicotinic acid
Synonyms:
General Information
Product Number: 89942596

CAS Registry Number 89942-59-6
Name:
3-​Pyridinecarboxylic acid, 2-​acetyl-
Nicotinic acid, 2-acetyl- (6CI,7CI)
2-Acetylnicotinic acid
2-Acetylpyridine-3-carboxylic acid

 

Chemical Formula: C8H7NO3
Exact Mass: 165.04
Molecular Weight: 165.15
m/z: 165.04 (100.0%), 166.05 (8.8%)

 

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

InChI Key:JYUCDFZMJMRPHS-UHFFFAOYSA-N

Canonical SMILES:CC(=O)C1=C(C=CC=N1)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 126-127 °C   (3)CAS

Specification

98%

References
  1. (3) Ochiai, Eiji; Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen 1937, V70B, P2018-23 CAPLUS
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