QN5
Summary
| Name: | 2-(2-methyl-1~{H}-indol-3-yl)ethanoic acid |
| Synonyms: | 2-Methylindole-3-acetic acid |
| Formula: | C11 H11 N O2 |
| Formal charge: | 0 |
| Formula weight: | 189.211 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-(2-methyl-1~{H}-indol-3-yl)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H11NO2/c1-7-9(6-11(13)14)8-4-2-3-5-10(8)12-7/h2-5,12H,6H2,1H3,(H,13,14) |
| InChIKey | InChI | 1.03 | QJNNHJVSQUUHHE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1[nH]c2ccccc2c1CC(O)=O |
| SMILES | CACTVS | 3.385 | Cc1[nH]c2ccccc2c1CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(c2ccccc2[nH]1)CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(c2ccccc2[nH]1)CC(=O)O |
