0TR
Summary
| Name: | 2-HYDROXYCYCLOHEPTA-2,4,6-TRIEN-1-ONE |
| Synonyms: | TROPOLONE |
| Formula: | C7 H6 O2 |
| Formal charge: | 0 |
| Formula weight: | 122.121 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | 2-hydroxycyclohepta-2,4,6-trien-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | OC1=CC=CC=CC1=O |
| SMILES | CACTVS | 3.352 | OC1=CC=CC=CC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | C1=CC=C(C(=O)C=C1)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | C1=CC=C(C(=O)C=C1)O |
| InChI | InChI | 1.03 | InChI=1S/C7H6O2/c8-6-4-2-1-3-5-7(6)9/h1-5H,(H,8,9) |
| InChIKey | InChI | 1.03 | MDYOLVRUBBJPFM-UHFFFAOYSA-N |
