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CAS Number: 306934-80-5
6-oxo-1,6-dihydropyridazine-3-carboxylic acid hydrate

Structure

6-oxo-1,6-dihydropyridazine-3-carboxylic acid hydrate
Name: 6-oxo-1,6-dihydropyridazine-3-carboxylic acid hydrate
Synonyms:
General Information
Product Number: 306934805
CAS Registry Number: 306934-80-5
(Component: 37972-69-3)
Name:
3-​Pyridazinecarboxylic acid, 1,​6-​dihydro-​6-​oxo-​, hydrate (1:1)
3-​Pyridazinecarboxylic acid, 1,​6-​dihydro-​6-​oxo-​, monohydrate (9CI) 
 
Chemical Formula: C5H6N2O4
Exact Mass: 158.03
Molecular Weight: 158.11
m/z: 158.03 (100.0%), 159.04 (5.6%)
Elemental Analysis: C, 37.98; H, 3.82; N, 17.72; O, 40.48
 
InChI: InChI=1S/C5H4N2O3.H2O/c8-4-2-1-3(5(9)10)6-7-4;/h1-2H,(H,7,8)(H,9,10);1H2
InChIKey: DZCBVXKRERSHAA-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=O)NN=C1C(=O)O.O
 
Thermal Properties Value Condition Note
Melting Point 257 °C Solv: water (7732-18-5) (1)CAS

Specification

98%

References
  1. (1) Homer, R. F.; Journal of the Chemical Society 1948, P2195-9 CAPLUS
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