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 |