9Y6
Summary
| Name: | (2E)-3-phenylprop-2-enal |
| Synonyms: | Trans-Cinnamaldehyde |
| Formula: | C9 H8 O |
| Formal charge: | 0 |
| Formula weight: | 132.159 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2E)-3-phenylprop-2-enal |
| OpenEye OEToolkits | 2.0.6 | (~{E})-3-phenylprop-2-enal |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1cccc(c1)C=[C@H]C=O |
| InChI | InChI | 1.03 | InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+ |
| InChIKey | InChI | 1.03 | KJPRLNWUNMBNBZ-QPJJXVBHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C/C=C/c1ccccc1 |
| SMILES | CACTVS | 3.385 | O=CC=Cc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)/C=C/C=O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)C=CC=O |
