QPE
Summary
| Name: | methyl (~{Z})-2-methyl-3-phenyl-prop-2-enoate |
| Formula: | C11 H12 O2 |
| Formal charge: | 0 |
| Formula weight: | 176.212 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | methyl (~{Z})-2-methyl-3-phenyl-prop-2-enoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H12O2/c1-9(11(12)13-2)8-10-6-4-3-5-7-10/h3-8H,1-2H3/b9-8- |
| InChIKey | InChI | 1.03 | QILOUBBQVGUFNG-HJWRWDBZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)\C(C)=C/c1ccccc1 |
| SMILES | CACTVS | 3.385 | COC(=O)C(C)=Cc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C/C(=C/c1ccccc1)/C(=O)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=Cc1ccccc1)C(=O)OC |
