5-(2-hydroxyethyl)-2,3-dihydrofuran-2-one

• ChemBase ID: 289085
• Molecular Formular: C6H8O3
• Molecular Mass: 128.12592
• Monoisotopic Mass: 128.04734412
• SMILES: O=C1OC(=CC1)CCO
• Canonical SMILES: OCCC1=CCC(=O)O1
• InChI: InChI=1S/C6H8O3/c7-4-3-5-1-2-6(8)9-5/h1,7H,2-4H2
• InChIKey: CPFWDKHAGLQDFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-hydroxyethyl)-2,3-dihydrofuran-2-one
• IUPAC Traditional name: 5-(2-hydroxyethyl)-3H-furan-2-one
• Synonyms: 5-(2-Hydroxyethyl)furan-2(3H)-one

Database IDs

• CAS Number: 878007-08-0
• MDL Number: MFCD20921913
• PubChem SID: 180674616
• PubChem CID: 11679816

CALCULATED PROPERTIES

• Acid pKa: 15.624633
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.7530805
• LogD (pH = 7.4): -0.7530805
• Log P: -0.7530805
• Molar Refractivity: 32.6294 cm^3
• Polarizability: 12.255315 Å^3
• Polar Surface Area: 46.53 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%