4-Benzoylbenzoic Acid

• CAS: 611-95-0
• Catalog Number: ACM611950
• Category: Other Products
• Molecular Weight: 226.23
• Molecular Formula: C14H10O3
• IUPAC Name: 4-benzoylbenzoic acid
• Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)O
• InChI: InChI=1S/C14H10O3/c15-13(10-4-2-1-3-5-10)11-6-8-12(9-7-11)14(16)17/h1-9H,(H,16,17)
• InChI Key: IFQUPKAISSPFTE-UHFFFAOYSA-N
• Boiling Point: 415.7 °C at 760 mmHg
• Melting Point: 199.0 °C
• Complexity: 284
• Covalently-Bonded Unit Count: 1
• EC Number: 210-286-0
• Exact Mass: 226.062994g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• Heavy Atom Count: 17
• Monoisotopic Mass: 226.062994g/mol
• NSC Number: 37115
• Rotatable Bond Count: 3
• XLogP3: 3