HBX
Summary
| Name: | benzaldehyde |
| Formula: | C7 H6 O |
| Formal charge: | 0 |
| Formula weight: | 106.122 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | benzaldehyde |
| OpenEye OEToolkits | 1.5.0 | benzaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=Cc1ccccc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | O=Cc1ccccc1 |
| SMILES | CACTVS | 3.341 | O=Cc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C=O |
| InChI | InChI | 1.03 | InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H |
| InChIKey | InChI | 1.03 | HUMNYLRZRPPJDN-UHFFFAOYSA-N |
