1DJ
Summary
| Name: | (1R)-1-phenylprop-2-yn-1-ol |
| Formula: | C9 H8 O |
| Formal charge: | 0 |
| Formula weight: | 132.159 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1R)-1-phenylprop-2-yn-1-ol |
| OpenEye OEToolkits | 1.7.6 | (1R)-1-phenylprop-2-yn-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(#C)C(O)c1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C9H8O/c1-2-9(10)8-6-4-3-5-7-8/h1,3-7,9-10H/t9-/m1/s1 |
| InChIKey | InChI | 1.03 | UIGLAZDLBZDVBL-SECBINFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O[C@H](C#C)c1ccccc1 |
| SMILES | CACTVS | 3.370 | O[CH](C#C)c1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C#C[C@H](c1ccccc1)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C#CC(c1ccccc1)O |
