QX4
Summary
| Name: | 4-hydroxy-6-methyl-2H-1-benzopyran-2-one |
| Formula: | C10 H8 O3 |
| Formal charge: | 0 |
| Formula weight: | 176.169 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-hydroxy-6-methyl-2H-1-benzopyran-2-one |
| OpenEye OEToolkits | 2.0.7 | 6-methyl-4-oxidanyl-chromen-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C=2C(=O)Oc1ccc(C)cc1C=2O |
| InChI | InChI | 1.03 | InChI=1S/C10H8O3/c1-6-2-3-9-7(4-6)8(11)5-10(12)13-9/h2-5,11H,1H3 |
| InChIKey | InChI | 1.03 | WIRGBZBGYNIZIB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc2OC(=O)C=C(O)c2c1 |
| SMILES | CACTVS | 3.385 | Cc1ccc2OC(=O)C=C(O)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc2c(c1)C(=CC(=O)O2)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc2c(c1)C(=CC(=O)O2)O |
