ICO
Summary
Name: | 1H-INDOLE-3-CARBOXYLIC ACID |
Formula: | C9 H7 N O2 |
Formal charge: | 0 |
Formula weight: | 161.157 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 1H-indole-3-carboxylic acid |
OpenEye OEToolkits | 1.5.0 | 1H-indole-3-carboxylic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)c2c1ccccc1nc2 |
SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)c1c[nH]c2ccccc12 |
SMILES | CACTVS | 3.341 | OC(=O)c1c[nH]c2ccccc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)c(c[nH]2)C(=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)c(c[nH]2)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12) |
InChIKey | InChI | 1.03 | KMAKOBLIOCQGJP-UHFFFAOYSA-N |