- 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
- Formula
- C9H7NO2
- SMILES
- O=C(O)c1cc2ccccc2[nH]1
- Molecular Weight1
- 161.16
- CAS
- 1477-50-5
- Other Names
-
- 1H-indole-2-carboxylic acid
- 2-Indolecarboxylic acid
- 2-carboxyindole
- 2-indolylformic acid
- indole-2-formic acid
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| log10WS | -2.56 | Crippen Calculated Property | |
| logPoct/wat | 1.384 | Crippen Calculated Property | |
| McVol | 116.170 | ml/mol | McGowan Calculated Property |
| Tfus | 483.10 | K | Experim... |
Similar Compounds
Find more compounds similar to Indole-2-carboxylic acid.
Mixtures
- Indole-2-carboxylic acid + Water
- Indole-2-carboxylic acid + Methyl Alcohol
- Ethanol + Indole-2-carboxylic acid
- 1-Propanol + Indole-2-carboxylic acid
- Isopropyl Alcohol + Indole-2-carboxylic acid
- Indole-2-carboxylic acid + 1-Butanol
- Indole-2-carboxylic acid + Ethyl Acetate
- Indole-2-carboxylic acid + 1,4-Dioxane
- Methylene chloride + Indole-2-carboxylic acid
- Toluene + Indole-2-carboxylic acid
Sources
- Crippen Method
- Crippen Method
- Experimental and computational thermochemical study of benzofuran, benzothiophene and indole derivatives
- Measurement and Correlation of Solubilities of Indole-2-carboxylic Acid in Ten Different Pure Solvents from (278.15 to 360.15) K
- McGowan Method
- NIST Webbook
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