2,3-diphenyloxirane

• ChemBase ID: 104638
• Molecular Formular: C14H12O
• Molecular Mass: 196.24448
• Monoisotopic Mass: 196.088815
• SMILES: O1C(C1c1ccccc1)c1ccccc1
• Canonical SMILES: O1C(C1c1ccccc1)c1ccccc1
• InChI: InChI=1S/C14H12O/c1-3-7-11(8-4-1)13-14(15-13)12-9-5-2-6-10-12/h1-10,13-14H
• InChIKey: ARCJQKUWGAZPFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-diphenyloxirane
• IUPAC Traditional name: stilbene oxide
• Synonyms: trans-STILBENE OXIDE

Database IDs

• CAS Number: 1439-07-2
• EC Number: 215-877-7
• PubChem SID: 162093067
• PubChem CID: 28649

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5215049
• LogD (pH = 7.4): 3.5215049
• Log P: 3.5215049
• Molar Refractivity: 59.6091 cm^3
• Polarizability: 23.605146 Å^3
• Polar Surface Area: 12.53 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: 2-8°C
• RTECS: DT4391500

DETAILS

MP Biomedicals - 05222440

MP Biomedicals Rare Chemical collection