2,3-dihydro-1-benzofuran-2,3-dione

• ChemBase ID: 180440
• Molecular Formular: C8H4O3
• Molecular Mass: 148.11556
• Monoisotopic Mass: 148.01604399
• SMILES: O1C(=O)C(=O)c2c1cccc2
• Canonical SMILES: O=C1C(=O)Oc2c1cccc2
• InChI: InChI=1S/C8H4O3/c9-7-5-3-1-2-4-6(5)11-8(7)10/h1-4H
• InChIKey: UUISWLJHAJBRAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dihydro-1-benzofuran-2,3-dione
• IUPAC Traditional name: 1-benzofuran-2,3-dione
• Synonyms: Benzofuran-2,3-dione

Database IDs

• CAS Number: 4732-72-3
• PubChem SID: 164236350
• PubChem CID: 138333

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5544275
• LogD (pH = 7.4): 1.5544275
• Log P: 1.5544275
• Molar Refractivity: 36.7444 cm^3
• Polarizability: 14.111145 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true