I1E
Summary
| Name: | 1-phenylpropan-1-one |
| Synonyms: | 1-phenyl-2-propen-1-one, bound form |
| Formula: | C9 H10 O |
| Formal charge: | 0 |
| Formula weight: | 134.175 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-phenylpropan-1-one |
| OpenEye OEToolkits | 1.7.2 | 1-phenylpropan-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c1ccccc1)CC |
| InChI | InChI | 1.03 | InChI=1S/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3 |
| InChIKey | InChI | 1.03 | KRIOVPPHQSLHCZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCC(=O)c1ccccc1 |
| SMILES | CACTVS | 3.370 | CCC(=O)c1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CCC(=O)c1ccccc1 |
| SMILES | OpenEye OEToolkits | 1.7.2 | CCC(=O)c1ccccc1 |
