A1AXE
Summary
| Name: | 1-methyl-1H-indole-6-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 | 12.01 | 1-methyl-1H-indole-6-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | 1-methylindole-6-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1ccc2ccn(C)c2c1 |
| InChI | InChI | 1.06 | InChI=1S/C10H9NO2/c1-11-5-4-7-2-3-8(10(12)13)6-9(7)11/h2-6H,1H3,(H,12,13) |
| InChIKey | InChI | 1.06 | DJQOGNYSBOIJKE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1ccc2ccc(cc12)C(O)=O |
| SMILES | CACTVS | 3.385 | Cn1ccc2ccc(cc12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1ccc2c1cc(cc2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1ccc2c1cc(cc2)C(=O)O |
