MCW
Summary
| Name: | 2-methoxycyclohexa-2,5-diene-1,4-dione |
| Formula: | C7 H6 O3 |
| Formal charge: | 0 |
| Formula weight: | 138.121 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-methoxycyclohexa-2,5-diene-1,4-dione |
| OpenEye OEToolkits | 1.5.0 | 2-methoxycyclohexa-2,5-diene-1,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1C=CC(=O)C=C1OC |
| SMILES_CANONICAL | CACTVS | 3.341 | COC1=CC(=O)C=CC1=O |
| SMILES | CACTVS | 3.341 | COC1=CC(=O)C=CC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COC1=CC(=O)C=CC1=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | COC1=CC(=O)C=CC1=O |
| InChI | InChI | 1.03 | InChI=1S/C7H6O3/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,1H3 |
| InChIKey | InChI | 1.03 | ZJKWJHONFFKJHG-UHFFFAOYSA-N |
