2-(9H-carbazol-3-yl)acetic acid

• ChemBase ID: 311105
• Molecular Formular: C14H11NO2
• Molecular Mass: 225.24264
• Monoisotopic Mass: 225.0789786
• SMILES: [nH]1c2c(c3c1cccc3)cc(CC(=O)O)cc2
• Canonical SMILES: OC(=O)Cc1ccc2c(c1)c1ccccc1[nH]2
• InChI: InChI=1S/C14H11NO2/c16-14(17)8-9-5-6-13-11(7-9)10-3-1-2-4-12(10)15-13/h1-7,15H,8H2,(H,16,17)
• InChIKey: OKOWWPXKLYLOLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(9H-carbazol-3-yl)acetic acid
• IUPAC Traditional name: 9H-carbazol-3-ylacetic acid
• Synonyms: 9H-carbazol-3-ylacetic acid

Database IDs

• CAS Number: 374916-11-7
• MDL Number: MFCD01469717

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.9088008
• LogD (pH = 7.4): 0.13205317
• Log P: 2.7286339
• Molar Refractivity: 64.7798 cm^3
• Polarizability: 27.29264 Å^3
• Polar Surface Area: 53.09 Å^2