IAC
Summary
| Name: | 1H-INDOL-3-YLACETIC ACID |
| Synonyms: | INDOLE ACETIC 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 | 1H-indol-3-ylacetic acid |
| OpenEye OEToolkits | 1.7.6 | 2-(1H-indol-3-yl)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)Cc2c1ccccc1nc2 |
| InChI | InChI | 1.03 | InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13) |
| InChIKey | InChI | 1.03 | SEOVTRFCIGRIMH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)Cc1c[nH]c2ccccc12 |
| SMILES | CACTVS | 3.370 | OC(=O)Cc1c[nH]c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)c(c[nH]2)CC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)c(c[nH]2)CC(=O)O |
