TB2
Summary
| Name: | (4-tert-butylphenyl)acetaldehyde |
| Formula: | C12 H16 O |
| Formal charge: | 0 |
| Formula weight: | 176.255 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4-tert-butylphenyl)acetaldehyde |
| OpenEye OEToolkits | 1.7.0 | 2-(4-tert-butylphenyl)ethanal |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=CCc1ccc(cc1)C(C)(C)C |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)(C)c1ccc(CC=O)cc1 |
| SMILES | CACTVS | 3.370 | CC(C)(C)c1ccc(CC=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(C)(C)c1ccc(cc1)CC=O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)(C)c1ccc(cc1)CC=O |
| InChI | InChI | 1.03 | InChI=1S/C12H16O/c1-12(2,3)11-6-4-10(5-7-11)8-9-13/h4-7,9H,8H2,1-3H3 |
| InChIKey | InChI | 1.03 | VMLYBYNXKMHLIJ-UHFFFAOYSA-N |
