2KT
Summary
Name: | 2-KETOBUTYRIC ACID |
Synonyms: | 2-OXOBUTANOIC ACID |
Formula: | C4 H6 O3 |
Formal charge: | 0 |
Formula weight: | 102.089 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 2-oxobutanoic acid |
OpenEye OEToolkits | 1.7.0 | 2-oxobutanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(C(=O)O)CC |
SMILES_CANONICAL | CACTVS | 3.370 | CCC(=O)C(O)=O |
SMILES | CACTVS | 3.370 | CCC(=O)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCC(=O)C(=O)O |
SMILES | OpenEye OEToolkits | 1.7.0 | CCC(=O)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C4H6O3/c1-2-3(5)4(6)7/h2H2,1H3,(H,6,7) |
InChIKey | InChI | 1.03 | TYEYBOSBBBHJIV-UHFFFAOYSA-N |