LI6
Summary
| Name: | 3,4-DIHYDROXY-1-METHYLQUINOLIN-2(1H)-ONE |
| Formula: | C10 H9 N O3 |
| Formal charge: | 0 |
| Formula weight: | 191.183 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3,4-dihydroxy-1-methylquinolin-2(1H)-one |
| OpenEye OEToolkits | 1.5.0 | 3,4-dihydroxy-1-methyl-quinolin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C2C(O)=C(O)c1c(cccc1)N2C |
| SMILES_CANONICAL | CACTVS | 3.341 | CN1C(=O)C(=C(O)c2ccccc12)O |
| SMILES | CACTVS | 3.341 | CN1C(=O)C(=C(O)c2ccccc12)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN1c2ccccc2C(=C(C1=O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CN1c2ccccc2C(=C(C1=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H9NO3/c1-11-7-5-3-2-4-6(7)8(12)9(13)10(11)14/h2-5,12-13H,1H3 |
| InChIKey | InChI | 1.03 | BDLJEQMXDNMETQ-UHFFFAOYSA-N |
