KXQ
Summary
| Name: | 1~{H}-indole-7-carboxylic acid |
| Formula: | C9 H7 N O2 |
| Formal charge: | 0 |
| Formula weight: | 161.157 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1~{H}-indole-7-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H7NO2/c11-9(12)7-3-1-2-6-4-5-10-8(6)7/h1-5,10H,(H,11,12) |
| InChIKey | InChI | 1.03 | IPDOBVFESNNYEE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cccc2cc[nH]c12 |
| SMILES | CACTVS | 3.385 | OC(=O)c1cccc2cc[nH]c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2cc[nH]c2c(c1)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2cc[nH]c2c(c1)C(=O)O |
