COU
Summary
| Name: | COUMARIN |
| Synonyms: | 2H-1-BENZOPYRAN-2-ONE |
| Formula: | C9 H6 O2 |
| Formal charge: | 0 |
| Formula weight: | 146.143 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2H-chromen-2-one |
| OpenEye OEToolkits | 1.5.0 | chromen-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C2Oc1ccccc1C=C2 |
| SMILES_CANONICAL | CACTVS | 3.341 | O=C1Oc2ccccc2C=C1 |
| SMILES | CACTVS | 3.341 | O=C1Oc2ccccc2C=C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)C=CC(=O)O2 |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)C=CC(=O)O2 |
| InChI | InChI | 1.03 | InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H |
| InChIKey | InChI | 1.03 | ZYGHJZDHTFUPRJ-UHFFFAOYSA-N |
