3-methoxy-9H-carbazole

• ChemBase ID: 57373
• Molecular Formular: C13H11NO
• Molecular Mass: 197.23254
• Monoisotopic Mass: 197.08406398
• SMILES: c1ccc2c(c1)c1c([nH]2)ccc(c1)OC
• Canonical SMILES: COc1ccc2c(c1)c1ccccc1[nH]2
• InChI: InChI=1S/C13H11NO/c1-15-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h2-8,14H,1H3
• InChIKey: BISIQSCKDZYPLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-9H-carbazole
• IUPAC Traditional name: 3-methoxy-9H-carbazole
• Synonyms: 3-Methoxy-9H-carbazole

Database IDs

• CAS Number: 18992-85-3
• MDL Number: MFCD00626045
• PubChem SID: 162062136
• PubChem CID: 519621

CALCULATED PROPERTIES

• Acid pKa: 15.182454
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.9332144
• LogD (pH = 7.4): 2.9332144
• Log P: 2.9332144
• Molar Refractivity: 59.9354 cm^3
• Polarizability: 25.72761 Å^3
• Polar Surface Area: 25.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false