MB8
Summary
| Name: | (2Z)-2-methylbut-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 | (2Z)-2-methylbut-2-enoic acid |
| OpenEye OEToolkits | 1.7.6 | (Z)-2-methylbut-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)\C(=C/C)C |
| InChI | InChI | 1.03 | InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3- |
| InChIKey | InChI | 1.03 | UIERETOOQGIECD-ARJAWSKDSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | C\C=C(C)/C(O)=O |
| SMILES | CACTVS | 3.370 | CC=C(C)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C/C=C(/C)\C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC=C(C)C(=O)O |
