methyl 2-oxoacetate

• ChemBase ID: 173748
• Molecular Formular: C3H4O3
• Molecular Mass: 88.06206
• Monoisotopic Mass: 88.01604399
• SMILES: C(=O)(OC)C=O
• Canonical SMILES: COC(=O)C=O
• InChI: InChI=1S/C3H4O3/c1-6-3(5)2-4/h2H,1H3
• InChIKey: KFKXSMSQHIOMSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-oxoacetate
• IUPAC Traditional name: methyl 2-oxoacetate
• Synonyms: 2-Oxo-acetic Acid Methyl Ester; Methyl Oxoacetate; Oxoacetic Acid Methyl Ester; Methyl Glyoxylate

Database IDs

• CAS Number: 922-68-9
• PubChem SID: 164229658
• PubChem CID: 70205

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.24555235
• LogD (pH = 7.4): 0.24555235
• Log P: 0.24555235
• Molar Refractivity: 18.2691 cm^3
• Polarizability: 7.2452507 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true