AYW
Summary
| Name: | 4-methyl-6-oxidanyl-1-benzofuran-3-one |
| Formula: | C9 H8 O3 |
| Formal charge: | 0 |
| Formula weight: | 164.158 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 4-methyl-6-oxidanyl-1-benzofuran-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H8O3/c1-5-2-6(10)3-8-9(5)7(11)4-12-8/h2-3,10H,4H2,1H3 |
| InChIKey | InChI | 1.03 | JANZWCJQQFVOPT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(O)cc2OCC(=O)c12 |
| SMILES | CACTVS | 3.385 | Cc1cc(O)cc2OCC(=O)c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(cc2c1C(=O)CO2)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(cc2c1C(=O)CO2)O |
