1-Acetyl-5-Oxo-2,5-Dihydro-1H-1,2,4-Triazole-3-Carboxylic Acid
[CAS# 144704-37-0]

Identification

• Name: 1-Acetyl-5-Oxo-2,5-Dihydro-1H-1,2,4-Triazole-3-Carboxylic Acid
• Synonyms: 1-acetyl-5-oxo-2,5-dihydro-1H-1,2,4-triazole-3-carboxylic acid
• Molecular Formula: C₅H₅N₃O₄
• Molecular Weight: 171.11
• CAS Registry Number: 144704-37-0
• SMILES: CC(=O)n1c(=O)nc([nH]1)C(=O)O
• InChI: 1S/C5H5N3O4/c1-2(9)8-5(12)6-3(7-8)4(10)11/h1H3,(H,10,11)(H,6,7,12)
• InChIKey: HNSDDVHDRUBIHR-UHFFFAOYSA-N

Properties

• Density: 1.84g/cm³ (Cal.)
• Boiling point: 323.068°C at 760 mmHg (Cal.)
• Flash point: 149.186°C (Cal.)
• Refractive index: 1.71 (Cal.)