Z5I
Summary
| Name: | (~{E})-3-(1~{H}-indol-3-yl)prop-2-enoic acid |
| Formula: | C11 H9 N O2 |
| Formal charge: | 0 |
| Formula weight: | 187.195 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (~{E})-3-(1~{H}-indol-3-yl)prop-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H9NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-7,12H,(H,13,14)/b6-5+ |
| InChIKey | InChI | 1.06 | PLVPPLCLBIEYEA-AATRIKPKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)\C=C\c1c[nH]c2ccccc12 |
| SMILES | CACTVS | 3.385 | OC(=O)C=Cc1c[nH]c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(c[nH]2)/C=C/C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(c[nH]2)C=CC(=O)O |
