G5V
Summary
| Name: | 5-hydroxy-2-methyl-4-oxo-4H-pyran-3-carboxylic acid |
| Formula: | C7 H6 O5 |
| Formal charge: | 0 |
| Formula weight: | 170.12 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-hydroxy-2-methyl-4-oxo-4H-pyran-3-carboxylic acid |
| OpenEye OEToolkits | 2.0.6 | 2-methyl-5-oxidanyl-4-oxidanylidene-pyran-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C1=C(OC=C(C1=O)O)C |
| InChI | InChI | 1.03 | InChI=1S/C7H6O5/c1-3-5(7(10)11)6(9)4(8)2-12-3/h2,8H,1H3,(H,10,11) |
| InChIKey | InChI | 1.03 | NFPVFWUVBGEVHR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=C(C(O)=O)C(=O)C(=CO1)O |
| SMILES | CACTVS | 3.385 | CC1=C(C(O)=O)C(=O)C(=CO1)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC1=C(C(=O)C(=CO1)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC1=C(C(=O)C(=CO1)O)C(=O)O |
