7DH
Summary
| Name: | (3E)-5-hydroxy-2-oxopent-3-enoic acid |
| Formula: | C5 H6 O4 |
| Formal charge: | 0 |
| Formula weight: | 130.099 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3E)-5-hydroxy-2-oxopent-3-enoic acid |
| OpenEye OEToolkits | 2.0.6 | 5-oxidanyl-2-oxidanylidene-pent-3-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(O)\C=C\C(C(=O)O)=O |
| InChI | InChI | 1.03 | InChI=1S/C5H6O4/c6-3-1-2-4(7)5(8)9/h1-2,6H,3H2,(H,8,9)/b2-1+ |
| InChIKey | InChI | 1.03 | NQCOHZOKLYGXBP-OWOJBTEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC\C=C\C(=O)C(O)=O |
| SMILES | CACTVS | 3.385 | OCC=CC(=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C(C=CC(=O)C(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | C(C=CC(=O)C(=O)O)O |
