4JQ
Summary
| Name: | 6-amino-2H-chromen-2-one |
| Formula: | C9 H7 N O2 |
| Formal charge: | 0 |
| Formula weight: | 161.157 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-amino-2H-chromen-2-one |
| OpenEye OEToolkits | 1.9.2 | 6-azanylchromen-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1c(cc2c(c1)OC(C=C2)=O)N |
| InChI | InChI | 1.03 | InChI=1S/C9H7NO2/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5H,10H2 |
| InChIKey | InChI | 1.03 | ZOJAINJCZSVZGW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc2OC(=O)C=Cc2c1 |
| SMILES | CACTVS | 3.385 | Nc1ccc2OC(=O)C=Cc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc2c(cc1N)C=CC(=O)O2 |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc2c(cc1N)C=CC(=O)O2 |
