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 |