YWD
Summary
| Name: | 3-[(prop-2-yn-1-yl)oxy]propanoic acid |
| Formula: | C6 H8 O3 |
| Formal charge: | 0 |
| Formula weight: | 128.126 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-[(prop-2-yn-1-yl)oxy]propanoic acid |
| OpenEye OEToolkits | 2.0.7 | 3-prop-2-ynoxypropanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CCOCC#C |
| InChI | InChI | 1.03 | InChI=1S/C6H8O3/c1-2-4-9-5-3-6(7)8/h1H,3-5H2,(H,7,8) |
| InChIKey | InChI | 1.03 | GMFDYXLFHSFUHE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCOCC#C |
| SMILES | CACTVS | 3.385 | OC(=O)CCOCC#C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C#CCOCCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C#CCOCCC(=O)O |
