2-cyclopropylpropanoic acid

• ChemBase ID: 267087
• Molecular Formular: C6H10O2
• Molecular Mass: 114.1424
• Monoisotopic Mass: 114.06807956
• SMILES: C1(CC1)C(C(=O)O)C
• Canonical SMILES: CC(C(=O)O)C1CC1
• InChI: InChI=1S/C6H10O2/c1-4(6(7)8)5-2-3-5/h4-5H,2-3H2,1H3,(H,7,8)
• InChIKey: AMOJMSPUYHSMKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropylpropanoic acid
• IUPAC Traditional name: 2-cyclopropylpropanoic acid
• Synonyms: 2-cyclopropylpropanoic acid

Database IDs

• MDL Number: MFCD11590475
• PubChem SID: 164322997
• PubChem CID: 21256867

CALCULATED PROPERTIES

• Acid pKa: 4.7223735
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.44415823
• LogD (pH = 7.4): -1.3333449
• Log P: 1.2880383
• Molar Refractivity: 29.1925 cm^3
• Polarizability: 11.591434 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.088

Product Information

• Purity: 95%