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CAS Number: 15506-18-0
1-methyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid

Structure

1-methyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
Name: 1-methyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
Synonyms:
General Information
Product Number: 15506180
CAS Registry Number: 15506-18-0
Name:
        3-​Pyridinecarboxylic acid, 1,​2-​dihydro-​1-​methyl-​2-​oxo-
        Nicotinic acid, 1,​2-​dihydro-​1-​methyl-​2-​oxo- (7CI,​8CI); 1-​Methyl-​2-​oxo-​1,​2-​dihydropyridine-​3-​carboxylic acid; 3-​Carboxy-​1-​methyl-​2(1H)​-​pyridone 
 
Chemical Formula: C7H7NO3
Exact Mass: 153.04
Molecular Weight: 153.14
m/z: 153.04 (100.0%), 154.05 (7.8%)
Elemental Analysis: C, 54.90; H, 4.61; N, 9.15; O, 31.34
 
InChI: InChI=1S/C7H7NO3/c1-8-4-2-3-5(6(8)9)7(10)11/h2-4H,1H3,(H,10,11)
InChIKey: DFAQSHLYVFQOJM-UHFFFAOYSA-N
Canonical SMILES : CN1C=CC=C(C1=O)C(=O)O
 
Thermal Properties Value Condition Note
Melting Point 184 °C   (2)CAS
Melting Point 183-183.5 °C   (3)CAS
Melting Point 183 °C Solv: ethanol (64-17-5) (4)CAS
Melting Point 180 °C   (5)IC

Specification

98%

References
  1. (1) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  2. (2) Spath, Ernst; Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen 1923, V56B, P880-7 CAPLUS
  3. (3) Holman, W. I. M.; Biochemical Journal 1948, V43, P423-6 CAPLUS
  4. (4) Kondakova, M. S.; Doklady Akademii Nauk SSSR 1949, V66, P647-50 CAPLUS
  5. (5) Deady, Leslie W.; Australian Journal of Chemistry 1985, V38(4), P637-41 CAPLUS
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