I7O
Summary
| Name: | 2-indol-1-ylethanoic acid |
| Formula: | C10 H9 N O2 |
| Formal charge: | 0 |
| Formula weight: | 175.184 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-indol-1-ylethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H9NO2/c12-10(13)7-11-6-5-8-3-1-2-4-9(8)11/h1-6H,7H2,(H,12,13) |
| InChIKey | InChI | 1.06 | WQJFIWXYPKYBTO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)Cn1ccc2ccccc12 |
| SMILES | CACTVS | 3.385 | OC(=O)Cn1ccc2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)ccn2CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)ccn2CC(=O)O |
