SE2
Summary
| Name: | 3-HYDROXY-2H-CHROMEN-2-ONE |
| Formula: | C9 H6 O3 |
| Formal charge: | 0 |
| Formula weight: | 162.142 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-hydroxy-2H-chromen-2-one |
| OpenEye OEToolkits | 1.9.2 | 3-oxidanylchromen-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2Oc1ccccc1C=C2O |
| InChI | InChI | 1.03 | InChI=1S/C9H6O3/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5,10H |
| InChIKey | InChI | 1.03 | MJKVTPMWOKAVMS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC1=Cc2ccccc2OC1=O |
| SMILES | CACTVS | 3.385 | OC1=Cc2ccccc2OC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)C=C(C(=O)O2)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)C=C(C(=O)O2)O |
