5O6
Summary
| Name: | (~{E})-3-(4-methoxyphenyl)but-2-enoic acid |
| Formula: | C11 H12 O3 |
| Formal charge: | 0 |
| Formula weight: | 192.211 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | (~{E})-3-(4-methoxyphenyl)but-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H12O3/c1-8(7-11(12)13)9-3-5-10(14-2)6-4-9/h3-7H,1-2H3,(H,12,13)/b8-7+ |
| InChIKey | InChI | 1.03 | FUINODAYLGQWJL-BQYQJAHWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)\C(C)=C\C(O)=O |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1)C(C)=CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | C/C(=C\C(=O)O)/c1ccc(cc1)OC |
| SMILES | OpenEye OEToolkits | 2.0.4 | CC(=CC(=O)O)c1ccc(cc1)OC |
