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 |