CIY
Summary
| Name: | (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal |
| Synonyms: | Coniferaldehyde |
| Formula: | C10 H10 O3 |
| Formal charge: | 0 |
| Formula weight: | 178.185 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal |
| OpenEye OEToolkits | 1.7.0 | (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enal |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C\C=C\c1cc(OC)c(O)cc1 |
| SMILES_CANONICAL | CACTVS | 3.370 | COc1cc(\C=C\C=O)ccc1O |
| SMILES | CACTVS | 3.370 | COc1cc(C=CC=O)ccc1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | COc1cc(ccc1O)/C=C/C=O |
| SMILES | OpenEye OEToolkits | 1.7.0 | COc1cc(ccc1O)C=CC=O |
| InChI | InChI | 1.03 | InChI=1S/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3/b3-2+ |
| InChIKey | InChI | 1.03 | DKZBBWMURDFHNE-NSCUHMNNSA-N |
