9H-carbazole-3-carboxylic acid

• ChemBase ID: 287046
• Molecular Formular: C13H9NO2
• Molecular Mass: 211.21606
• Monoisotopic Mass: 211.06332853
• SMILES: O=C(c1cc2c(cc1)[nH]c1c2cccc1)O
• Canonical SMILES: OC(=O)c1ccc2c(c1)c1ccccc1[nH]2
• InChI: InChI=1S/C13H9NO2/c15-13(16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7,14H,(H,15,16)
• InChIKey: UZRJWXGXZKPSJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9H-carbazole-3-carboxylic acid
• IUPAC Traditional name: 9H-carbazole-3-carboxylic acid
• Synonyms: 9H-Carbazole-3-carboxylic acid

Database IDs

• CAS Number: 51035-17-7
• MDL Number: MFCD03152409
• PubChem SID: 180672577
• PubChem CID: 3152023

CALCULATED PROPERTIES

• Acid pKa: 3.9917374
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.2310523
• LogD (pH = 7.4): -0.41532153
• Log P: 2.7484686
• Molar Refractivity: 60.7284 cm^3
• Polarizability: 25.423517 Å^3
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%