diphenyl oxalate

• ChemBase ID: 127127
• Molecular Formular: C14H10O4
• Molecular Mass: 242.2268
• Monoisotopic Mass: 242.0579088
• SMILES: O=C(Oc1ccccc1)C(=O)Oc1ccccc1
• Canonical SMILES: O=C(C(=O)Oc1ccccc1)Oc1ccccc1
• InChI: InChI=1S/C14H10O4/c15-13(17-11-7-3-1-4-8-11)14(16)18-12-9-5-2-6-10-12/h1-10H
• InChIKey: ULOZDEVJRTYKFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diphenyl oxalate
• IUPAC Traditional name: diphenyl oxalate
• Synonyms: diphenylethandioate; oxalic acid diphenyl estee; cyalume; DPO; Diphenyl oxalate

Database IDs

• CAS Number: 3155-16-6
• PubChem SID: 162221449
• PubChem CID: 18475
• Chemspider ID: 17449
• Wikipedia Title: Diphenyl_oxalate

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.81062
• LogD (pH = 7.4): 3.81062
• Log P: 3.81062
• Molar Refractivity: 63.532 cm^3
• Polarizability: 25.097794 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: solid
• Melting Point: 136°C