HWA
Summary
| Name: | 3-hydroxy-6-methyl-4-oxo-1,4-dihydropyridine-2-carboxylic acid |
| Formula: | C7 H7 N O4 |
| Formal charge: | 0 |
| Formula weight: | 169.135 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-hydroxy-6-methyl-4-oxo-1,4-dihydropyridine-2-carboxylic acid |
| OpenEye OEToolkits | 2.0.6 | 6-methyl-3-oxidanyl-4-oxidanylidene-1~{H}-pyridine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(=O)C=1NC(C)=CC(C=1O)=O |
| InChI | InChI | 1.03 | InChI=1S/C7H7NO4/c1-3-2-4(9)6(10)5(8-3)7(11)12/h2,10H,1H3,(H,8,9)(H,11,12) |
| InChIKey | InChI | 1.03 | XNWQBUPQWNNJAL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=CC(=O)C(=C(N1)C(O)=O)O |
| SMILES | CACTVS | 3.385 | CC1=CC(=O)C(=C(N1)C(O)=O)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC1=CC(=O)C(=C(N1)C(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC1=CC(=O)C(=C(N1)C(=O)O)O |
