ethyl (2S)-2-methoxypropanoate

• ChemBase ID: 173871
• Molecular Formular: C6H12O3
• Molecular Mass: 132.15768
• Monoisotopic Mass: 132.07864424
• SMILES: CCOC(=O)[C@H](C)OC
• Canonical SMILES: CCOC(=O)[C@@H](OC)C
• InChI: InChI=1S/C6H12O3/c1-4-9-6(7)5(2)8-3/h5H,4H2,1-3H3/t5-/m0/s1
• InChIKey: WHRLOJCOIKOQGL-YFKPBYRVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl (2S)-2-methoxypropanoate
• IUPAC Traditional name: ethyl (2S)-2-methoxypropanoate
• Synonyms: 2-Methoxypropionic Acid Ethyl Ester; Ethyl 2-Methoxypropanoate; O-Methyl-L-lactic Acid Ethyl Ester

Database IDs

• CAS Number: 4324-39-4
• PubChem SID: 164229781
• PubChem CID: 5702567

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.673999
• LogD (pH = 7.4): 0.673999
• Log P: 0.673999
• Molar Refractivity: 33.1087 cm^3
• Polarizability: 13.281858 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Ether; Ethyl Acetate
• Apperance: Colourless Liquid

Safety Information

• Storage Warning: O0C