1H-indol-7-ol

• ChemBase ID: 74547
• Molecular Formular: C8H7NO
• Molecular Mass: 133.14728
• Monoisotopic Mass: 133.05276385
• SMILES: [nH]1c2c(cccc2O)cc1
• Canonical SMILES: Oc1cccc2c1[nH]cc2
• InChI: InChI=1S/C8H7NO/c10-7-3-1-2-6-4-5-9-8(6)7/h1-5,9-10H
• InChIKey: ORVPXPKEZLTMNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H-indol-7-ol
• IUPAC Traditional name: 1H-indol-7-ol
• Synonyms: 1H-Indol-7-ol; 7-Hydroxy-1H-indole; Indol-7-ol; 7-Hydroxy-1H-indole; 7-Hydroxyindole

Database IDs

• CAS Number: 2380-84-9
• MDL Number: MFCD00152102
• PubChem SID: 162039466
• PubChem CID: 2737651

CALCULATED PROPERTIES

• Acid pKa: 9.614228
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 1.7684093
• LogD (pH = 7.4): 1.765815
• Log P: 1.7684425
• Molar Refractivity: 39.1254 cm^3
• Polarizability: 16.182186 Å^3
• Polar Surface Area: 36.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Solid
• Melting Point: 84-88°C; 96-99°C

Safety Information

• Storage Warning: Harmful/Irritant/Store below -20°C

Product Information

• Purity: 98%