2,3-dimethyl-1H-indole-7-carbaldehyde

• ChemBase ID: 306613
• Molecular Formular: C11H11NO
• Molecular Mass: 173.21114
• Monoisotopic Mass: 173.08406398
• SMILES: [nH]1c2c(c(c1C)C)cccc2C=O
• Canonical SMILES: O=Cc1cccc2c1[nH]c(c2C)C
• InChI: InChI=1S/C11H11NO/c1-7-8(2)12-11-9(6-13)4-3-5-10(7)11/h3-6,12H,1-2H3
• InChIKey: MGWPJWMJIUZCAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dimethyl-1H-indole-7-carbaldehyde
• IUPAC Traditional name: 2,3-dimethyl-1H-indole-7-carbaldehyde
• Synonyms: 2,3-dimethyl-1H-indole-7-carbaldehyde

Database IDs

• CAS Number: 103987-28-6
• MDL Number: MFCD08059725

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.4974928
• LogD (pH = 7.4): 2.4974928
• Log P: 2.4974928
• Molar Refractivity: 53.9194 cm^3
• Polarizability: 21.00003 Å^3
• Polar Surface Area: 32.86 Å^2