6-hydroxy-2,3-dihydro-1H-indol-2-one

• ChemBase ID: 293501
• Molecular Formular: C8H7NO2
• Molecular Mass: 149.14668
• Monoisotopic Mass: 149.04767847
• SMILES: O=C1Nc2c(ccc(O)c2)C1
• Canonical SMILES: O=C1Cc2c(N1)cc(cc2)O
• InChI: InChI=1S/C8H7NO2/c10-6-2-1-5-3-8(11)9-7(5)4-6/h1-2,4,10H,3H2,(H,9,11)
• InChIKey: ZOJZYAPVVOLQQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-hydroxy-2,3-dihydro-1H-indol-2-one
• IUPAC Traditional name: 6-hydroxy-1,3-dihydroindol-2-one
• Synonyms: 6-Hydroxyindolin-2-one; 6-HYDROXY-1,3-DIHYDRO-INDOL-2-ONE

Database IDs

• CAS Number: 6855-48-7
• PubChem SID: 180679032
• PubChem CID: 2784139

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.76839876
• LogD (pH = 7.4): 0.7617008
• Log P: 0.7684849
• Molar Refractivity: 41.5658 cm^3
• Polarizability: 15.09316 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• Acid pKa: 9.200208

PROPERTIES

Product Information

• Purity: 95+%; 98%