3-(2-oxooxolan-3-yl)propanoic acid

• ChemBase ID: 308804
• Molecular Formular: C7H10O4
• Molecular Mass: 158.1519
• Monoisotopic Mass: 158.0579088
• SMILES: C1(=O)OCCC1CCC(=O)O
• Canonical SMILES: OC(=O)CCC1CCOC1=O
• InChI: InChI=1S/C7H10O4/c8-6(9)2-1-5-3-4-11-7(5)10/h5H,1-4H2,(H,8,9)
• InChIKey: YUFJCZZAZUVXGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-oxooxolan-3-yl)propanoic acid
• IUPAC Traditional name: 3-(2-oxooxolan-3-yl)propanoic acid
• Synonyms: 3-(2-oxotetrahydro-3-furanyl)propanoic acid

Database IDs

• CAS Number: 936-83-4
• MDL Number: MFCD01725790

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.1249397
• LogD (pH = 7.4): -2.8192394
• Log P: 0.26143315
• Molar Refractivity: 35.75 cm^3
• Polarizability: 14.314583 Å^3
• Polar Surface Area: 63.6 Å^2