methyl 6-oxabicyclo[3.1.0]hexane-3-carboxylate

• ChemBase ID: 279009
• Molecular Formular: C7H10O3
• Molecular Mass: 142.1525
• Monoisotopic Mass: 142.06299418
• SMILES: O1C2C1CC(C(=O)OC)C2
• Canonical SMILES: COC(=O)C1CC2C(C1)O2
• InChI: InChI=1S/C7H10O3/c1-9-7(8)4-2-5-6(3-4)10-5/h4-6H,2-3H2,1H3
• InChIKey: VQWDWFRQNVCVBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 6-oxabicyclo[3.1.0]hexane-3-carboxylate
• IUPAC Traditional name: methyl 6-oxabicyclo[3.1.0]hexane-3-carboxylate
• Synonyms: methyl 6-oxabicyclo[3.1.0]hexane-3-carboxylate

Database IDs

• MDL Number: MFCD20488708
• PubChem SID: 164334919
• PubChem CID: 13173315

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.29156333
• LogD (pH = 7.4): 0.29156333
• Log P: 0.29156333
• Molar Refractivity: 33.5349 cm^3
• Polarizability: 13.690125 Å^3
• Polar Surface Area: 38.83 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.54

Product Information

• Purity: 95%