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

• ChemBase ID: 267948
• Molecular Formular: C8H7NO2
• Molecular Mass: 149.14668
• Monoisotopic Mass: 149.04767847
• SMILES: C1(=O)Nc2c(C1O)cccc2
• Canonical SMILES: O=C1Nc2c(C1O)cccc2
• InChI: InChI=1S/C8H7NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4,7,10H,(H,9,11)
• InChIKey: SGZFJWQQBHYNNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-hydroxy-2,3-dihydro-1H-indol-2-one
• IUPAC Traditional name: 3-hydroxyoxindole
• Synonyms: 3-hydroxy-2,3-dihydro-1H-indol-2-one

Database IDs

• MDL Number: MFCD01718285
• PubChem SID: 164323858
• PubChem CID: 6097

CALCULATED PROPERTIES

• Acid pKa: 11.879824
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.35689154
• LogD (pH = 7.4): 0.3568777
• Log P: 0.35689172
• Molar Refractivity: 40.9231 cm^3
• Polarizability: 15.104156 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 161 - 163°C
• Hydrophobicity(logP): -0.014

Product Information

• Purity: 95%