FQ9
Summary
| Name: | (2S)-2-methyl-4H-1,3-benzodioxine-6-carbaldehyde |
| Synonyms: | (2S)-2-methyl-4H-benzo[d][1,3]dioxine-6-carbaldehyde |
| Formula: | C10 H10 O3 |
| Formal charge: | 0 |
| Formula weight: | 178.185 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-methyl-4~{H}-1,3-benzodioxine-6-carbaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H10O3/c1-7-12-6-9-4-8(5-11)2-3-10(9)13-7/h2-5,7H,6H2,1H3/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | OUSHWSCHEPRJRW-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1OCc2cc(C=O)ccc2O1 |
| SMILES | CACTVS | 3.385 | C[CH]1OCc2cc(C=O)ccc2O1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1OCc2cc(ccc2O1)C=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1OCc2cc(ccc2O1)C=O |
