N7I
Summary
| Name: | 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol |
| Synonyms: | Coniferyl alcohol |
| Formula: | C10 H12 O3 |
| Formal charge: | 0 |
| Formula weight: | 180.2 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol |
| OpenEye OEToolkits | 1.7.0 | 4-[(E)-3-hydroxyprop-1-enyl]-2-methoxy-phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Oc1ccc(cc1OC)/C=C/CO |
| SMILES_CANONICAL | CACTVS | 3.370 | COc1cc(\C=C\CO)ccc1O |
| SMILES | CACTVS | 3.370 | COc1cc(C=CCO)ccc1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | COc1cc(ccc1O)/C=C/CO |
| SMILES | OpenEye OEToolkits | 1.7.0 | COc1cc(ccc1O)C=CCO |
| InChI | InChI | 1.03 | InChI=1S/C10H12O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-5,7,11-12H,6H2,1H3/b3-2+ |
| InChIKey | InChI | 1.03 | JMFRWRFFLBVWSI-NSCUHMNNSA-N |
