methyl 2-cyclopropyl-2-hydroxyacetate

• ChemBase ID: 242385
• Molecular Formular: C6H10O3
• Molecular Mass: 130.1418
• Monoisotopic Mass: 130.06299418
• SMILES: C1(CC1)C(C(=O)OC)O
• Canonical SMILES: COC(=O)C(C1CC1)O
• InChI: InChI=1S/C6H10O3/c1-9-6(8)5(7)4-2-3-4/h4-5,7H,2-3H2,1H3
• InChIKey: GZILGVPTLJAVCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-cyclopropyl-2-hydroxyacetate
• IUPAC Traditional name: methyl 2-cyclopropyl-2-hydroxyacetate
• Synonyms: methyl 2-cyclopropyl-2-hydroxyacetate

Database IDs

• MDL Number: MFCD16693890
• PubChem SID: 164298295
• PubChem CID: 11073449

CALCULATED PROPERTIES

• Acid pKa: 12.474377
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.09783381
• LogD (pH = 7.4): 0.0978302
• Log P: 0.09783386
• Molar Refractivity: 30.8023 cm^3
• Polarizability: 12.506425 Å^3
• Polar Surface Area: 46.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.246

Product Information

• Purity: 95%