LW6
Summary
Name: | 1H-indole-4-carbaldehyde |
Formula: | C9 H7 N O |
Formal charge: | 0 |
Formula weight: | 145.158 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 1H-indole-4-carbaldehyde |
OpenEye OEToolkits | 2.0.7 | 1~{H}-indole-4-carbaldehyde |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=Cc1cccc2[NH]ccc12 |
InChI | InChI | 1.06 | InChI=1S/C9H7NO/c11-6-7-2-1-3-9-8(7)4-5-10-9/h1-6,10H |
InChIKey | InChI | 1.06 | JFDDFGLNZWNJTK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=Cc1cccc2[nH]ccc12 |
SMILES | CACTVS | 3.385 | O=Cc1cccc2[nH]ccc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c2cc[nH]c2c1)C=O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c2cc[nH]c2c1)C=O |