1,3-dihydrospiro[indene-2,3'-oxolane]-2',5'-dione

• ChemBase ID: 268491
• Molecular Formular: C12H10O3
• Molecular Mass: 202.206
• Monoisotopic Mass: 202.06299418
• SMILES: C12(C(=O)OC(=O)C2)Cc2c(C1)cccc2
• Canonical SMILES: O=C1OC(=O)CC21Cc1c(C2)cccc1
• InChI: InChI=1S/C12H10O3/c13-10-7-12(11(14)15-10)5-8-3-1-2-4-9(8)6-12/h1-4H,5-7H2
• InChIKey: YIOLUCBGADNSND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-dihydrospiro[indene-2,3'-oxolane]-2',5'-dione
• IUPAC Traditional name: 1,3-dihydrospiro[indene-2,3'-oxolane]-2',5'-dione
• Synonyms: 1,3-dihydrospiro[indene-2,3'-oxolane]-2',5'-dione

Database IDs

• MDL Number: MFCD12067427
• PubChem SID: 164324401
• PubChem CID: 13049518

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0181892
• LogD (pH = 7.4): 2.0181892
• Log P: 2.0181892
• Molar Refractivity: 52.7411 cm^3
• Polarizability: 20.766617 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 164 - 166°C
• Hydrophobicity(logP): 1.07

Product Information

• Purity: 95%