3,3-dimethoxypropanoic acid

• ChemBase ID: 310086
• Molecular Formular: C5H10O4
• Molecular Mass: 134.1305
• Monoisotopic Mass: 134.0579088
• SMILES: C(C(=O)O)C(OC)OC
• Canonical SMILES: COC(CC(=O)O)OC
• InChI: InChI=1S/C5H10O4/c1-8-5(9-2)3-4(6)7/h5H,3H2,1-2H3,(H,6,7)
• InChIKey: TYMBNRMIBWOQGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3-dimethoxypropanoic acid
• IUPAC Traditional name: 3,3-dimethoxypropanoic acid
• Synonyms: 3,3-dimethoxypropanoic acid

Database IDs

• MDL Number: MFCD06208060

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.1804644
• LogD (pH = 7.4): -2.9006696
• Log P: 0.11844804
• Molar Refractivity: 29.5776 cm^3
• Polarizability: 11.988672 Å^3
• Polar Surface Area: 55.76 Å^2