Indole-2-carboxylic acid

• CAS: 1477-50-5
• Catalog Number: ACM1477505
• Category: Indoles
• Molecular Weight: 161.16
• Molecular Formula: C9H7NO2
• Synonyms: 1H-Indole-2-carboxylic
• IUPAC Name: 1H-Indole-2-carboxylic acid
• Canonical SMILES: C1=CC=C2C(=C1)C=C(N2)C(=O)O
• InChI: InChI=1S/C9H7NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)
• InChI Key: HCUARRIEZVDMPT-UHFFFAOYSA-N
• Boiling Point: 287.44 °C
• Melting Point: 202-206 °C(lit.)
• Flash Point: 207.6 °C
• Density: 1.2480 g/cm³
• Appearance: Solid
• Storage: Keep in dark place, sealed in dry, room Temperature
• Complexity: 193
• Exact Mass: 161.047678466
• Monoisotopic Mass: 161.047678466
• pKa: 4.44±0.30(Predicted)
• Refractive Index: 1.5050
• Topological Polar Surface Area: 53.1 Ų

Custom Q&A

What is the molecular formula of Indole-2-carboxylic acid?

The molecular formula of Indole-2-carboxylic acid is C9H7NO2.

What is the synonyms for Indole-2-carboxylic acid?

The synonyms for Indole-2-carboxylic acid are 1H-Indole-2-carboxylic acid, 2-Carboxyindole, and 2-Indolecarboxylic acid.

What is the molecular weight of Indole-2-carboxylic acid?

The molecular weight of Indole-2-carboxylic acid is 161.16 g/mol.

Where can Indole-2-carboxylic acid be found naturally?

Indole-2-carboxylic acid can be found naturally in Strychnos cathayensis and Solanum lycopersicum.

What is the IUPAC name of Indole-2-carboxylic acid?

The IUPAC name of Indole-2-carboxylic acid is 1H-indole-2-carboxylic acid.

What is the InChI of Indole-2-carboxylic acid?

The InChI of Indole-2-carboxylic acid is "InChI=1S/C9H7NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)".

What is the InChIKey of Indole-2-carboxylic acid?

The InChIKey of Indole-2-carboxylic acid is "HCUARRIEZVDMPT-UHFFFAOYSA-N".

What is the Canonical SMILES of Indole-2-carboxylic acid?

The Canonical SMILES of Indole-2-carboxylic acid is "C1=CC=C2C(=C1)C=C(N2)C(=O)O".

What is the CAS number of Indole-2-carboxylic acid?

The CAS number of Indole-2-carboxylic acid is 1477-50-5.

What is the XLogP3 value of Indole-2-carboxylic acid?

The XLogP3 value of Indole-2-carboxylic acid is 2.3.