(1R)-3H-spiro[2-benzofuran-1,2'-oxolane]-3,5'-dione

• ChemBase ID: 121931
• Molecular Formular: C11H8O4
• Molecular Mass: 204.17882
• Monoisotopic Mass: 204.04225874
• SMILES: [C@@]12(OC(=O)c3c1cccc3)OC(=O)CC2
• Canonical SMILES: O=C1CC[C@@]2(O1)OC(=O)c1c2cccc1
• InChI: InChI=1S/C11H8O4/c12-9-5-6-11(14-9)8-4-2-1-3-7(8)10(13)15-11/h1-4H,5-6H2/t11-/m1/s1
• InChIKey: ZKEVGLUAKGKGMO-LLVKDONJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-3H-spiro[2-benzofuran-1,2'-oxolane]-3,5'-dione
• IUPAC Traditional name: (1R)-spiro[2-benzofuran-1,2'-oxolane]-3,5'-dione
• Synonyms: (R)-3H,3'H-spiro[furan-2,1'-isobenzofuran]-3',5(4H)-dione

Database IDs

• PubChem SID: 162216284
• PubChem CID: 671327

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.83746
• LogD (pH = 7.4): 1.83746
• Log P: 1.83746
• Molar Refractivity: 49.9326 cm^3
• Polarizability: 19.628277 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true