oxanthrene

• ChemBase ID: 126956
• Molecular Formular: C12H8O2
• Molecular Mass: 184.19072
• Monoisotopic Mass: 184.0524295
• SMILES: O1c2c(Oc3c1cccc3)cccc2
• Canonical SMILES: c1ccc2c(c1)Oc1c(O2)cccc1
• InChI: InChI=1S/C12H8O2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H
• InChIKey: NFBOHOGPQUYFRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oxanthrene
• IUPAC Traditional name: dibenzo-p-dioxin
• Synonyms: Dibenzodioxin; Dibenzo-p-dioxin; Oxanthrene; Dibenzo-1,4-dioxin

Database IDs

• CAS Number: 262-12-4
• PubChem SID: 162221282
• PubChem CID: 9216
• Chemspider ID: 8861
• KEGG ID: C07732
• Wikipedia Title: Dibenzo-1,4-dioxin

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.0005744
• LogD (pH = 7.4): 3.0005744
• Log P: 3.0005744
• Molar Refractivity: 52.4816 cm^3
• Polarizability: 20.665518 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: White crystals
• Melting Point: 122°C
• Boiling Point: 283.5°C