4-Propylbenzoic Acid

• CAS: 2438-05-3
• Catalog Number: ACM2438053
• Category: Other Products
• Molecular Weight: 164.2
• Molecular Formula: C10H12O2
• IUPAC Name: 4-propylbenzoic acid
• Canonical SMILES: CCCC1=CC=C(C=C1)C(=O)O
• InChI: InChI=1S/C10H12O2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h4-7H,2-3H2,1H3,(H,11,12)
• InChI Key: ATZHGRNFEFVDDJ-UHFFFAOYSA-N
• Boiling Point: 288.61 ºC
• Melting Point: 142-144 ºC
• Density: 1.067 g/ml
• Appearance: White to yellow needles or crystalline powder
• Complexity: 146
• Covalently-Bonded Unit Count: 1
• Exact Mass: 164.08373g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 1
• Heavy Atom Count: 12
• LogP: 3.42 (LogP)
• Monoisotopic Mass: 164.08373g/mol
• NSC Number: 168993
• Rotatable Bond Count: 3
• UNII: 3P1V85E45O
• XLogP3: 3.4