8-hydroxy-1H,2H,3H,4H-cyclopenta[c]chromen-4-one

• ChemBase ID: 311461
• Molecular Formular: C12H10O3
• Molecular Mass: 202.206
• Monoisotopic Mass: 202.06299418
• SMILES: c12c(c(=O)oc3c1cc(cc3)O)CCC2
• Canonical SMILES: Oc1ccc2c(c1)c1CCCc1c(=O)o2
• InChI: InChI=1S/C12H10O3/c13-7-4-5-11-10(6-7)8-2-1-3-9(8)12(14)15-11/h4-6,13H,1-3H2
• InChIKey: LYCZVRBMNHDJRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-hydroxy-1H,2H,3H,4H-cyclopenta[c]chromen-4-one
• IUPAC Traditional name: 8-hydroxy-1H,2H,3H-cyclopenta[c]chromen-4-one
• Synonyms: 8-hydroxy-2,3-dihydrocyclopenta[c]chromen-4(1H)-one

Database IDs

• CAS Number: 131526-88-0
• MDL Number: MFCD08691761

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1555238
• LogD (pH = 7.4): 2.1509757
• Log P: 2.1555822
• Molar Refractivity: 54.9674 cm^3
• Polarizability: 21.101131 Å^3
• Polar Surface Area: 46.53 Å^2