FQ3
Summary
| Name: | 2,2-dimethyl-4H-1,3-benzodioxine-6-carbaldehyde |
| Synonyms: | 2,2-dimethyl-4H-benzo[d][1,3]dioxine-6-carbaldehyde |
| Formula: | C11 H12 O3 |
| Formal charge: | 0 |
| Formula weight: | 192.211 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2,2-dimethyl-4~{H}-1,3-benzodioxine-6-carbaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H12O3/c1-11(2)13-7-9-5-8(6-12)3-4-10(9)14-11/h3-6H,7H2,1-2H3 |
| InChIKey | InChI | 1.03 | KNGWEAQJZJKFLI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)OCc2cc(C=O)ccc2O1 |
| SMILES | CACTVS | 3.385 | CC1(C)OCc2cc(C=O)ccc2O1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1(OCc2cc(ccc2O1)C=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1(OCc2cc(ccc2O1)C=O)C |
