1,3-dioxolan-4-ylmethanol

• ChemBase ID: 287259
• Molecular Formular: C4H8O3
• Molecular Mass: 104.10452
• Monoisotopic Mass: 104.04734412
• SMILES: OCC1OCOC1
• Canonical SMILES: OCC1COCO1
• InChI: InChI=1S/C4H8O3/c5-1-4-2-6-3-7-4/h4-5H,1-3H2
• InChIKey: BOHGAOWOIJMTPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-dioxolan-4-ylmethanol
• IUPAC Traditional name: glycerol formal
• Synonyms: (1,3-Dioxolan-4-yl)methanol

Database IDs

• CAS Number: 5464-28-8
• MDL Number: MFCD00003218
• PubChem SID: 180672790
• PubChem CID: 21618

CALCULATED PROPERTIES

• Acid pKa: 14.597607
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.61418504
• LogD (pH = 7.4): -0.61418504
• Log P: -0.61418504
• Molar Refractivity: 22.859 cm^3
• Polarizability: 9.476023 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%