2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid

• ChemBase ID: 310481
• Molecular Formular: C13H13NO2
• Molecular Mass: 215.24782
• Monoisotopic Mass: 215.09462866
• SMILES: c12[nH]c3c(c1CCCC2C(=O)O)cccc3
• Canonical SMILES: OC(=O)C1CCCc2c1[nH]c1c2cccc1
• InChI: InChI=1S/C13H13NO2/c15-13(16)10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h1-2,4,7,10,14H,3,5-6H2,(H,15,16)
• InChIKey: QFLIXPBSNSYURJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid
• IUPAC Traditional name: 2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid
• Synonyms: 2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid

Database IDs

• CAS Number: 42497-46-1
• MDL Number: MFCD08273450

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.7441382
• LogD (pH = 7.4): -0.032964002
• Log P: 2.6670077
• Molar Refractivity: 60.7441 cm^3
• Polarizability: 24.441988 Å^3
• Polar Surface Area: 53.09 Å^2