3-Methyl-5-(2-Oxopropyl)-1-Phenyl-1H-Pyrazole-4-Carboxylicacid
[CAS# 294874-70-7]

Identification

• Name: 3-Methyl-5-(2-Oxopropyl)-1-Phenyl-1H-Pyrazole-4-Carboxylicacid
• Synonyms: 5-Acetonyl-3-Methyl-1-Phenyl-Pyrazole-4-Carboxylate; 5-Acetonyl-3-Methyl-1-Phenyl-4-Pyrazolecarboxylate; 3-Methyl-5-(2-Oxopropyl)-1-Phenyl-Pyrazole-4-Carboxylate
• Molecular Formula: C₁₄H₁₃N₂O₃
• Molecular Weight: 257.27
• CAS Registry Number: 294874-70-7
• SMILES: C2=C([N]1N=C(C(=C1CC(=O)C)C([O-])=O)C)C=CC=C2
• InChI: 1S/C14H14N2O3/c1-9(17)8-12-13(14(18)19)10(2)15-16(12)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,18,19)/p-1
• InChIKey: JVYLAXJJWDRRNW-UHFFFAOYSA-M

Properties

• Boiling point: 436.174°C at 760 mmHg (Cal.)
• Flash point: 217.591°C (Cal.)