A1BXY
Summary
| Name: | prop-2-ynoic acid |
| Formula: | C3 H2 O2 |
| Formal charge: | 0 |
| Formula weight: | 70.047 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | prop-2-ynoic acid |
| OpenEye OEToolkits | 3.1.0.0 | prop-2-ynoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | C#CC(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C3H2O2/c1-2-3(4)5/h1H,(H,4,5) |
| InChIKey | InChI | 1.06 | UORVCLMRJXCDCP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C#C |
| SMILES | CACTVS | 3.385 | OC(=O)C#C |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C#CC(=O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | C#CC(=O)O |
