3,5-Dimethoxybenzoic Acid

• CAS: 1132-21-4
• Catalog Number: ACM1132214
• Category: Other Products
• Molecular Weight: 182.17
• Molecular Formula: C9H10O4
• IUPAC Name: 3,5-dimethoxybenzoic acid
• Canonical SMILES: COC1=CC(=CC(=C1)C(=O)O)OC
• InChI: InChI=1S/C9H10O4/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5H,1-2H3,(H,10,11)
• InChI Key: IWPZKOJSYQZABD-UHFFFAOYSA-N
• Melting Point: 185.5 °C
• Complexity: 169
• Covalently-Bonded Unit Count: 1
• EC Number: 214-473-8
• Exact Mass: 182.057909g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 1
• Heavy Atom Count: 13
• LogP: 2.19 (LogP)
• Monoisotopic Mass: 182.057909g/mol
• NSC Number: 43744;8514
• Rotatable Bond Count: 3
• UNII: 38MY78ECKK
• Vapor Pressure: 1.38e-07 mmHg
• XLogP3: 2.2