9TS
Summary
| Name: | (2E)-pent-2-enoic acid |
| Formula: | C5 H8 O2 |
| Formal charge: | 0 |
| Formula weight: | 100.116 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2E)-pent-2-enoic acid |
| OpenEye OEToolkits | 2.0.6 | (~{E})-pent-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(\C=C\CC)(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7)/b4-3+ |
| InChIKey | InChI | 1.03 | YIYBQIKDCADOSF-ONEGZZNKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC/C=C/C(O)=O |
| SMILES | CACTVS | 3.385 | CCC=CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC/C=C/C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCC=CC(=O)O |
