HLD
Summary
| Name: | 4-oxo-4H-pyran-2,6-dicarboxylic acid |
| Formula: | C7 H4 O6 |
| Formal charge: | 0 |
| Formula weight: | 184.103 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-oxo-4H-pyran-2,6-dicarboxylic acid |
| OpenEye OEToolkits | 1.7.6 | 4-oxidanylidenepyran-2,6-dicarboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1C=C(OC(C(=O)O)=C1)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H4O6/c8-3-1-4(6(9)10)13-5(2-3)7(11)12/h1-2H,(H,9,10)(H,11,12) |
| InChIKey | InChI | 1.03 | PBAYDYUZOSNJGU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)C1=CC(=O)C=C(O1)C(O)=O |
| SMILES | CACTVS | 3.370 | OC(=O)C1=CC(=O)C=C(O1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1=C(OC(=CC1=O)C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1=C(OC(=CC1=O)C(=O)O)C(=O)O |
