I3A
Summary
| Name: | 1H-INDOLE-3-CARBALDEHYDE |
| Formula: | C9 H7 N O |
| Formal charge: | 0 |
| Formula weight: | 145.158 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1H-indole-3-carbaldehyde |
| OpenEye OEToolkits | 1.5.0 | 1H-indole-3-carbaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=Cc2c1ccccc1nc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | O=Cc1c[nH]c2ccccc12 |
| SMILES | CACTVS | 3.341 | O=Cc1c[nH]c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)c(c[nH]2)C=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)c(c[nH]2)C=O |
| InChI | InChI | 1.03 | InChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H |
| InChIKey | InChI | 1.03 | OLNJUISKUQQNIM-UHFFFAOYSA-N |
