KPL
Summary
| Name: | KETOPANTOATE |
| Synonyms: | 2-DEHYDROPANTOATE |
| Formula: | C6 H10 O4 |
| Formal charge: | 0 |
| Formula weight: | 146.141 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-hydroxy-3,3-dimethyl-2-oxobutanoic acid |
| OpenEye OEToolkits | 1.5.0 | 4-hydroxy-3,3-dimethyl-2-oxo-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(=O)C(C)(C)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)(CO)C(=O)C(O)=O |
| SMILES | CACTVS | 3.341 | CC(C)(CO)C(=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)(CO)C(=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)(CO)C(=O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H10O4/c1-6(2,3-7)4(8)5(9)10/h7H,3H2,1-2H3,(H,9,10) |
| InChIKey | InChI | 1.03 | PKVVTUWHANFMQC-UHFFFAOYSA-N |
