2-(naphthalen-2-yl)oxirane

• ChemBase ID: 258794
• Molecular Formular: C12H10O
• Molecular Mass: 170.2072
• Monoisotopic Mass: 170.07316494
• SMILES: O1C(C1)c1cc2c(cc1)cccc2
• Canonical SMILES: c1ccc2c(c1)cc(cc2)C1CO1
• InChI: InChI=1S/C12H10O/c1-2-4-10-7-11(12-8-13-12)6-5-9(10)3-1/h1-7,12H,8H2
• InChIKey: LAGFFQGUWPDQNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(naphthalen-2-yl)oxirane
• IUPAC Traditional name: 2-(naphthalen-2-yl)oxirane
• Synonyms: 2-(naphthalen-2-yl)oxirane

Database IDs

• CAS Number: 20861-99-8
• MDL Number: MFCD01712738
• PubChem SID: 164314704
• PubChem CID: 30333

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7267416
• LogD (pH = 7.4): 2.7267416
• Log P: 2.7267416
• Molar Refractivity: 51.7765 cm^3
• Polarizability: 21.57482 Å^3
• Polar Surface Area: 12.53 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 57 - 59°C
• Hydrophobicity(logP): 2.46

Product Information

• Purity: 95%