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

• ChemBase ID: 289767
• Molecular Formular: C9H9NO2
• Molecular Mass: 163.17326
• Monoisotopic Mass: 163.06332853
• SMILES: O=C1Nc2c(ccc(OC)c2)C1
• Canonical SMILES: COc1ccc2c(c1)NC(=O)C2
• InChI: InChI=1S/C9H9NO2/c1-12-7-3-2-6-4-9(11)10-8(6)5-7/h2-3,5H,4H2,1H3,(H,10,11)
• InChIKey: OXOQGUGIJKUSRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-2,3-dihydro-1H-indol-2-one
• IUPAC Traditional name: 6-methoxy-1,3-dihydroindol-2-one
• Synonyms: 6-Methoxyoxindole

Database IDs

• CAS Number: 7699-19-6
• PubChem SID: 180675298
• PubChem CID: 2793749

CALCULATED PROPERTIES

• Acid pKa: 12.082327
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.9143788
• LogD (pH = 7.4): 0.91436994
• Log P: 0.91437894
• Molar Refractivity: 46.0481 cm^3
• Polarizability: 16.998446 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%