2-butylcyclopropane-1-carboxylic acid

• ChemBase ID: 311479
• Molecular Formular: C8H14O2
• Molecular Mass: 142.19556
• Monoisotopic Mass: 142.09937969
• SMILES: C1(CC1CCCC)C(=O)O
• Canonical SMILES: CCCCC1CC1C(=O)O
• InChI: InChI=1S/C8H14O2/c1-2-3-4-6-5-7(6)8(9)10/h6-7H,2-5H2,1H3,(H,9,10)
• InChIKey: LITGHZCLHRJIAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-butylcyclopropane-1-carboxylic acid
• IUPAC Traditional name: 2-butylcyclopropane-1-carboxylic acid
• Synonyms: 2-butylcyclopropanecarboxylic acid

Database IDs

• CAS Number: 13536-04-4
• MDL Number: MFCD03191383

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4730598
• LogD (pH = 7.4): -0.29371682
• Log P: 2.1771755
• Molar Refractivity: 38.3945 cm^3
• Polarizability: 15.256077 Å^3
• Polar Surface Area: 37.3 Å^2