4PL
Summary
| Name: | 7-hydroxy-6-methylfuro[3,4-c]pyridin-1(3H)-one |
| Synonyms: | 4-Pyridoxolactone |
| Formula: | C8 H7 N O3 |
| Formal charge: | 0 |
| Formula weight: | 165.146 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 7-hydroxy-6-methylfuro[3,4-c]pyridin-1(3H)-one |
| OpenEye OEToolkits | 1.7.2 | 6-methyl-7-oxidanyl-3H-furo[3,4-c]pyridin-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1OCc2c1c(O)c(nc2)C |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1ncc2COC(=O)c2c1O |
| SMILES | CACTVS | 3.370 | Cc1ncc2COC(=O)c2c1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | Cc1c(c2c(cn1)COC2=O)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | Cc1c(c2c(cn1)COC2=O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H7NO3/c1-4-7(10)6-5(2-9-4)3-12-8(6)11/h2,10H,3H2,1H3 |
| InChIKey | InChI | 1.03 | HHPDVQLBYQFYFA-UHFFFAOYSA-N |
