ethyl 3-hydroxypropanoate

• ChemBase ID: 58223
• Molecular Formular: C5H10O3
• Molecular Mass: 118.1311
• Monoisotopic Mass: 118.06299418
• SMILES: C(=O)(CCO)OCC
• Canonical SMILES: OCCC(=O)OCC
• InChI: InChI=1S/C5H10O3/c1-2-8-5(7)3-4-6/h6H,2-4H2,1H3
• InChIKey: UKDLORMZNPQILV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 3-hydroxypropanoate
• IUPAC Traditional name: ethyl 3-hydroxypropanoate
• Synonyms: Ethyl 3-hydroxypropanoate

Database IDs

• CAS Number: 623-72-3
• MDL Number: MFCD11652203
• PubChem SID: 162062986
• PubChem CID: 12870589

CALCULATED PROPERTIES

• Acid pKa: 15.733641
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.300879
• LogD (pH = 7.4): -0.300879
• Log P: -0.300879
• Molar Refractivity: 28.563 cm^3
• Polarizability: 11.390625 Å^3
• Polar Surface Area: 46.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.056

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%