G5Y
Summary
| Name: | 3-hydroxy-4-oxo-4H-pyran-2-carboxylic acid |
| Formula: | C6 H4 O5 |
| Formal charge: | 0 |
| Formula weight: | 156.093 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-hydroxy-4-oxo-4H-pyran-2-carboxylic acid |
| OpenEye OEToolkits | 2.0.6 | 3-oxidanyl-4-oxidanylidene-pyran-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C=1OC=CC(C=1O)=O |
| InChI | InChI | 1.03 | InChI=1S/C6H4O5/c7-3-1-2-11-5(4(3)8)6(9)10/h1-2,8H,(H,9,10) |
| InChIKey | InChI | 1.03 | XZUDOWCTKOXYCZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C1=C(O)C(=O)C=CO1 |
| SMILES | CACTVS | 3.385 | OC(=O)C1=C(O)C(=O)C=CO1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1=COC(=C(C1=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | C1=COC(=C(C1=O)O)C(=O)O |
