4-Propoxybenzoic acid

• CAS: 5438-19-7
• Catalog Number: ACM5438197
• Category: Organic & Printed Electronics
• Molecular Weight: 180.2
• Molecular Formula: C10H12O3
• Synonyms: Benzoic Acid, P-Propoxy-
• IUPAC Name: 4-propoxybenzoic acid
• Canonical SMILES: CCCOC1=CC=C(C=C1)C(=O)O
• InChI: InChI=1S/C10H12O3/c1-2-7-13-9-5-3-8(4-6-9)10(11)12/h3-6H,2,7H2,1H3,(H,11,12)
• InChI Key: GDFUWFOCYZZGQU-UHFFFAOYSA-N
• Boiling Point: 304.9 ºC at 760mmHg
• Melting Point: 144-146 ºC
• Density: 1.133 g/ml
• Appearance: White to light yellow waxy liquid
• Complexity: 160
• Covalently-Bonded Unit Count: 1
• Exact Mass: 180.078644g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• Heavy Atom Count: 13
• LogP: 3.09 (LogP)
• Monoisotopic Mass: 180.078644g/mol
• NSC Number: 16632
• Rotatable Bond Count: 4
• XLogP3: 3.1