methyl 2,2-dimethoxypropanoate

• ChemBase ID: 112059
• Molecular Formular: C6H12O4
• Molecular Mass: 148.15708
• Monoisotopic Mass: 148.07355886
• SMILES: COC(=O)C(C)(OC)OC
• Canonical SMILES: COC(=O)C(OC)(OC)C
• InChI: InChI=1S/C6H12O4/c1-6(9-3,10-4)5(7)8-2/h1-4H3
• InChIKey: KHQQDBIXHUJARJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2,2-dimethoxypropanoate
• IUPAC Traditional name: methyl 2,2-dimethoxypropanoate
• Synonyms: METHYL PYRUVATE DIMETHYL ACETAL; Methyl 2,2-dimethoxypropanoate

Database IDs

• CAS Number: 10076-48-9
• MDL Number: MFCD00048066
• PubChem SID: 162097265
• PubChem CID: 82339

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.5797705
• LogD (pH = 7.4): 0.5797705
• Log P: 0.5797705
• Molar Refractivity: 34.8193 cm^3
• Polarizability: 14.031475 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%

DETAILS

MP Biomedicals - 05222363

MP Biomedicals Rare Chemical collection