2-(cyclopropylmethoxy)propanoic acid

• ChemBase ID: 264238
• Molecular Formular: C7H12O3
• Molecular Mass: 144.16838
• Monoisotopic Mass: 144.07864424
• SMILES: C(=O)(C(OCC1CC1)C)O
• Canonical SMILES: CC(C(=O)O)OCC1CC1
• InChI: InChI=1S/C7H12O3/c1-5(7(8)9)10-4-6-2-3-6/h5-6H,2-4H2,1H3,(H,8,9)
• InChIKey: MNKVYIQMSMWXSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(cyclopropylmethoxy)propanoic acid
• IUPAC Traditional name: 2-(cyclopropylmethoxy)propanoic acid
• Synonyms: 2-(cyclopropylmethoxy)propanoic acid

Database IDs

• MDL Number: MFCD11136574
• PubChem SID: 164320148
• PubChem CID: 43188620

CALCULATED PROPERTIES

• Acid pKa: 4.1037817
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.4582601
• LogD (pH = 7.4): -2.1446838
• Log P: 0.95187426
• Molar Refractivity: 35.533 cm^3
• Polarizability: 14.158536 Å^3
• Polar Surface Area: 46.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.891

Product Information

• Purity: 95%