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CAS Number: 4332-79-0
1-benzyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid

Structure

1-benzyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid
Name: 1-benzyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid
Synonyms:
General Information
Product Number: 4332790

CAS Registry Number 4332-79-0
Name:
3-?Pyridinecarboxylic acid, 1,?6-?dihydro-?6-?oxo-?1-?(phenylmethyl)?-
Nicotinic acid, 1-benzyl-1,6-dihydro-6-oxo- (6CI,7CI,8CI)
1,6-Dihydro-6-oxo-1-(phenylmethyl)-3-pyridinecarboxylic acid
1-Benzyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid

 

Chemical Formula: C13H11NO3
Exact Mass: 229.07
Molecular Weight: 229.23
m/z: 229.07 (100.0%), 230.08 (14.3%), 231.08 (1.6%)

 

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

InChI Key:LDTBMEOGSQFGDK-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C(C=C1)CN2C=C(C=CC2=O)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 206-208 °C   (1)CAS

Specification

98%

References

(1) Wiley, Richard H.; Journal of the American Chemical Society 1954, V76, P625-7 CAPLUS

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