WB1
Summary
| Name: | 6-methyl-1H-indole-3-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 | 6-methyl-1H-indole-3-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | 6-methyl-1~{H}-indole-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1c(C)ccc2c(C(O)=O)cnc12 |
| InChI | InChI | 1.03 | InChI=1S/C10H9NO2/c1-6-2-3-7-8(10(12)13)5-11-9(7)4-6/h2-5,11H,1H3,(H,12,13) |
| InChIKey | InChI | 1.03 | PHHZCIOPSFQASN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc2c([nH]cc2C(O)=O)c1 |
| SMILES | CACTVS | 3.385 | Cc1ccc2c([nH]cc2C(O)=O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc2c(c1)[nH]cc2C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc2c(c1)[nH]cc2C(=O)O |
