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CAS Number: 33548-32-2
1-methyl-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxylic acid

Structure

 1-methyl-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxylic acid
Name: 1-methyl-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxylic acid
Synonyms:
General Information
Product Number: 33548322

CAS Registry Number 33548-32-2
Name:
3-?Pyridazinecarboxylic acid, 1,?4,?5,?6-?tetrahydro-?1-?methyl-?6-?oxo-
1,4,5,6-Tetrahydro-1-methyl-6-oxo-3-pyridazinecarboxylic acid

 

Chemical Formula: C6H8N2O3
Exact Mass: 156.05
Molecular Weight: 156.14
m/z: 156.05 (100.0%), 157.06 (6.7%)

 

InChI:InChI=1S/C6H8N2O3/c1-8-5(9)3-2-4(7-8)6(10)11/h2-3H2,1H3,(H,10,11)

InChI Key:QAMPBVPSOZEYTC-UHFFFAOYSA-N

Canonical SMILES:CN1C(=O)CCC(=N1)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 159-160 °C   (3)CAS
Melting Point 156-157 °C Solv: ethanol (64-17-5) (4)CAS
Melting Point 143-145 °C Solv: ethanol (64-17-5) (2)CAS

Specification

98%
References
  1. (2) Katrusiak, Anna; Journal of Molecular Structure 2011, V998(1-3), P84-90 CAPLUS
  2. (3) Teotino, Uberto Maria; Gazzetta Chimica Italiana 1959, V89, P1200-11 CAPLUS
  3. (4) Kline, G. Bruce; Journal of Organic Chemistry 1961, V26, P1854-6 CAPLUS
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