EMF
Summary
| Name: | ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate |
| Formula: | C13 H16 O4 |
| Formal charge: | 0 |
| Formula weight: | 236.264 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate |
| OpenEye OEToolkits | 1.5.0 | ethyl (1S,2S)-2-(4-hydroxy-3-methoxy-phenyl)cyclopropane-1-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(OCC)C2CC2c1ccc(O)c(OC)c1 |
| SMILES_CANONICAL | CACTVS | 3.341 | CCOC(=O)[C@H]1C[C@@H]1c2ccc(O)c(OC)c2 |
| SMILES | CACTVS | 3.341 | CCOC(=O)[CH]1C[CH]1c2ccc(O)c(OC)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCOC(=O)[C@H]1C[C@@H]1c2ccc(c(c2)OC)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCOC(=O)C1CC1c2ccc(c(c2)OC)O |
| InChI | InChI | 1.03 | InChI=1S/C13H16O4/c1-3-17-13(15)10-7-9(10)8-4-5-11(14)12(6-8)16-2/h4-6,9-10,14H,3,7H2,1-2H3/t9-,10+/m1/s1 |
| InChIKey | InChI | 1.03 | QZLUEKVALMNAEZ-ZJUUUORDSA-N |
