2-hydroxy-3-methoxypropanoic acid

• ChemBase ID: 245319
• Molecular Formular: C4H8O4
• Molecular Mass: 120.10392
• Monoisotopic Mass: 120.04225874
• SMILES: C(=O)(C(O)COC)O
• Canonical SMILES: COCC(C(=O)O)O
• InChI: InChI=1S/C4H8O4/c1-8-2-3(5)4(6)7/h3,5H,2H2,1H3,(H,6,7)
• InChIKey: JFISKVPZHADVPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxy-3-methoxypropanoic acid
• IUPAC Traditional name: 2-hydroxy-3-methoxypropanoic acid
• Synonyms: 2-hydroxy-3-methoxypropanoic acid

Database IDs

• MDL Number: MFCD19230409
• PubChem SID: 164301229
• PubChem CID: 12256008

CALCULATED PROPERTIES

• Acid pKa: 3.6375623
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.734722
• LogD (pH = 7.4): -4.205173
• Log P: -0.875613
• Molar Refractivity: 25.1347 cm^3
• Polarizability: 10.125124 Å^3
• Polar Surface Area: 66.76 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.179

Product Information

• Purity: 95%