3-(1-methylcyclopropyl)propanoic acid

• ChemBase ID: 307237
• Molecular Formular: C7H12O2
• Molecular Mass: 128.16898
• Monoisotopic Mass: 128.08372962
• SMILES: C1(CC1)(CCC(=O)O)C
• Canonical SMILES: OC(=O)CCC1(C)CC1
• InChI: InChI=1S/C7H12O2/c1-7(4-5-7)3-2-6(8)9/h2-5H2,1H3,(H,8,9)
• InChIKey: YCVOGPHTDVZENI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1-methylcyclopropyl)propanoic acid
• IUPAC Traditional name: 3-(1-methylcyclopropyl)propanoic acid
• Synonyms: 3-(1-methylcyclopropyl)propanoic acid

Database IDs

• CAS Number: 87433-66-7
• MDL Number: MFCD08059897

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.7667388
• LogD (pH = 7.4): -1.002423
• Log P: 1.4896678
• Molar Refractivity: 33.6941 cm^3
• Polarizability: 13.422073 Å^3
• Polar Surface Area: 37.3 Å^2