4-Phenyl-1H-pyrazole-3-carboxylic acid ethyl ester

• Catalog Number: ACM6963628
• Product Name: 4-Phenyl-1H-pyrazole-3-carboxylic acid ethyl ester
• CAS: 6963-62-8
• Category: Heterocyclic Organic Compound
• Synonyms: NSC55495, MolPort-003-806-042, CID244544, 6963-62-8
• IUPAC Name: ethyl 4-phenyl-1H-pyrazole-5-carboxylate
• Molecular Weight: 216.235880 [g/mol]
• Molecular Formula: C₁₂H₁₂N₂O₂
• Canonical SMILES: CCOC(=O)C1=C(C=NN1)C2=CC=CC=C2
• InChI Key: BQUUXGPEWAUSLS-UHFFFAOYSA-N
• Boiling Point: 428.5ºC at 760mmHg
• Flash Point: 212.9ºC
• Density: 1.196g/cm³
• Exact Mass: 216.09000
• H-Bond Acceptor: 3
• H-Bond Donor: 1