1PJ
Summary
| Name: | 1-(4-methoxyphenyl)cyclopropanecarboxylic acid |
| Formula: | C11 H12 O3 |
| Formal charge: | 0 |
| Formula weight: | 192.211 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(4-methoxyphenyl)cyclopropanecarboxylic acid |
| OpenEye OEToolkits | 1.7.6 | 1-(4-methoxyphenyl)cyclopropane-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C2(c1ccc(OC)cc1)CC2 |
| InChI | InChI | 1.03 | InChI=1S/C11H12O3/c1-14-9-4-2-8(3-5-9)11(6-7-11)10(12)13/h2-5H,6-7H2,1H3,(H,12,13) |
| InChIKey | InChI | 1.03 | WCPFQQHADRJANG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | COc1ccc(cc1)C2(CC2)C(O)=O |
| SMILES | CACTVS | 3.370 | COc1ccc(cc1)C2(CC2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1ccc(cc1)C2(CC2)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | COc1ccc(cc1)C2(CC2)C(=O)O |
