4-Carboxyphenyl Acetate

• CAS: 2345-34-8
• Catalog Number: ACM2345348
• Category: Other Products
• Molecular Weight: 180.16g/mol
• Molecular Formula: C9H8O4
• IUPAC Name: 4-acetyloxybenzoic acid
• Canonical SMILES: CC(=O)OC1=CC=C(C=C1)C(=O)O
• InChI: InChI=1S/C9H8O4/c1-6(10)13-8-4-2-7(3-5-8)9(11)12/h2-5H,1H3,(H,11,12)
• InChI Key: GDBUZIKSJGRBJP-UHFFFAOYSA-N
• Melting Point: 192.5 °C
• Complexity: 204
• Covalently-Bonded Unit Count: 1
• EC Number: 219-066-9
• Exact Mass: 180.042259g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 1
• Heavy Atom Count: 13
• LogP: 1.48 (LogP)
• Monoisotopic Mass: 180.042259g/mol
• NSC Number: 11340
• Rotatable Bond Count: 3
• XLogP3: 0.9