2H-pyran

• ChemBase ID: 129187
• Molecular Formular: C5H6O
• Molecular Mass: 82.10054
• Monoisotopic Mass: 82.04186481
• SMILES: C1=CC=CCO1
• Canonical SMILES: O1CC=CC=C1
• InChI: InChI=1S/C5H6O/c1-2-4-6-5-3-1/h1-4H,5H2
• InChIKey: MGADZUXDNSDTHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2H-pyran
• IUPAC Traditional name: pyran
• Synonyms: 2H-Oxine; 4H-Oxine; Pyran

Database IDs

• CAS Number: 289-66-7
• PubChem SID: 162223484
• PubChem CID: 186148
• Wikipedia Title: Pyran

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.7808804
• LogD (pH = 7.4): 0.7808804
• Log P: 0.7808804
• Molar Refractivity: 26.2102 cm^3
• Polarizability: 9.421127 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true