cyclopropanol

• ChemBase ID: 126817
• Molecular Formular: C3H6O
• Molecular Mass: 58.07914
• Monoisotopic Mass: 58.04186481
• SMILES: OC1CC1
• Canonical SMILES: OC1CC1
• InChI: InChI=1S/C3H6O/c4-3-1-2-3/h3-4H,1-2H2
• InChIKey: YOXHCYXIAVIFCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopropanol
• IUPAC Traditional name: cyclopropanol
• Synonyms: Cyclopropyl alcohol; Hydroxycyclopropane; Cyclopropanol

Database IDs

• CAS Number: 16545-68-9
• MDL Number: MFCD19707103
• PubChem SID: 162221144
• PubChem CID: 123361
• Chemspider ID: 109961
• Wikipedia Title: Cyclopropanol

CALCULATED PROPERTIES

• Acid pKa: 16.651615
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.05301253
• LogD (pH = 7.4): -0.05301253
• Log P: -0.05301253
• Molar Refractivity: 15.4725 cm^3
• Polarizability: 6.153032 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 101–102 °C
• Density: 0.917 g/mL
• Hydrophobicity(logP): -0.18

Product Information

• Purity: 95%