4BY
Summary
| Name: | 5-methyl-1H-indole-2-carboxylic acid |
| Formula: | C10 H9 N O2 |
| Formal charge: | 0 |
| Formula weight: | 175.184 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | 5-methyl-1H-indole-2-carboxylic acid |
| OpenEye OEToolkits | 1.6.1 | 5-methyl-1H-indole-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | O=C(O)c2cc1cc(ccc1n2)C |
| SMILES_CANONICAL | CACTVS | 3.352 | Cc1ccc2[nH]c(cc2c1)C(O)=O |
| SMILES | CACTVS | 3.352 | Cc1ccc2[nH]c(cc2c1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1ccc2c(c1)cc([nH]2)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | Cc1ccc2c(c1)cc([nH]2)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H9NO2/c1-6-2-3-8-7(4-6)5-9(11-8)10(12)13/h2-5,11H,1H3,(H,12,13) |
| InChIKey | InChI | 1.03 | DAITVOCMWPNFTL-UHFFFAOYSA-N |
