JQ8
Summary
| Name: | phenylpropiolic acid |
| Formula: | C9 H6 O2 |
| Formal charge: | 0 |
| Formula weight: | 146.143 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-phenylprop-2-ynoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H6O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,(H,10,11) |
| InChIKey | InChI | 1.03 | XNERWVPQCYSMLC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C#Cc1ccccc1 |
| SMILES | CACTVS | 3.385 | OC(=O)C#Cc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C#CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C#CC(=O)O |
