[3-(hydroxymethyl)azetidin-3-yl]methanol

• ChemBase ID: 310107
• Molecular Formular: C5H11NO2
• Molecular Mass: 117.14634
• Monoisotopic Mass: 117.0789786
• SMILES: C1(CNC1)(CO)CO
• Canonical SMILES: OCC1(CO)CNC1
• InChI: InChI=1S/C5H11NO2/c7-3-5(4-8)1-6-2-5/h6-8H,1-4H2
• InChIKey: JAXQPBINKGFTPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(hydroxymethyl)azetidin-3-yl]methanol
• IUPAC Traditional name: [3-(hydroxymethyl)azetidin-3-yl]methanol
• Synonyms: 3,3-azetidinediyldimethanol

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -5.0102205
• LogD (pH = 7.4): -3.6991413
• Log P: -1.8943108
• Molar Refractivity: 29.8985 cm^3
• Polarizability: 12.004493 Å^3
• Polar Surface Area: 52.49 Å^2