55B
Summary
| Name: | 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenol |
| Synonyms: | Sinapyl alcohol sinapoyl alcohol |
| Formula: | C11 H14 O4 |
| Formal charge: | 0 |
| Formula weight: | 210.226 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenol |
| OpenEye OEToolkits | 1.9.2 | 2,6-dimethoxy-4-[(E)-3-oxidanylprop-1-enyl]phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | COc1cc(cc(c1O)OC)\C=C\CO |
| InChI | InChI | 1.03 | InChI=1S/C11H14O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-4,6-7,12-13H,5H2,1-2H3/b4-3+ |
| InChIKey | InChI | 1.03 | LZFOPEXOUVTGJS-ONEGZZNKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(\C=C\CO)cc(OC)c1O |
| SMILES | CACTVS | 3.385 | COc1cc(C=CCO)cc(OC)c1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | COc1cc(cc(c1O)OC)/C=C/CO |
| SMILES | OpenEye OEToolkits | 1.9.2 | COc1cc(cc(c1O)OC)C=CCO |
