1V8
Summary
| Name: | 2-(1,3-benzodioxol-5-yl)-4H-chromen-4-one |
| Formula: | C16 H10 O4 |
| Formal charge: | 0 |
| Formula weight: | 266.248 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(1,3-benzodioxol-5-yl)-4H-chromen-4-one |
| OpenEye OEToolkits | 1.7.6 | 2-(1,3-benzodioxol-5-yl)chromen-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1c4c(OC(=C1)c3ccc2OCOc2c3)cccc4 |
| InChI | InChI | 1.03 | InChI=1S/C16H10O4/c17-12-8-15(20-13-4-2-1-3-11(12)13)10-5-6-14-16(7-10)19-9-18-14/h1-8H,9H2 |
| InChIKey | InChI | 1.03 | XJKWXDPKDNEEKV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O=C1C=C(Oc2ccccc12)c3ccc4OCOc4c3 |
| SMILES | CACTVS | 3.370 | O=C1C=C(Oc2ccccc12)c3ccc4OCOc4c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)C(=O)C=C(O2)c3ccc4c(c3)OCO4 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)C(=O)C=C(O2)c3ccc4c(c3)OCO4 |
