ZGB
Summary
| Name: | 3-(4-methoxy-3-methylphenyl)propanoic acid |
| Formula: | C11 H14 O3 |
| Formal charge: | 0 |
| Formula weight: | 194.227 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(4-methoxy-3-methylphenyl)propanoic acid |
| OpenEye OEToolkits | 1.7.0 | 3-(4-methoxy-3-methyl-phenyl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CCc1ccc(OC)c(c1)C |
| SMILES_CANONICAL | CACTVS | 3.370 | COc1ccc(CCC(O)=O)cc1C |
| SMILES | CACTVS | 3.370 | COc1ccc(CCC(O)=O)cc1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1cc(ccc1OC)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | Cc1cc(ccc1OC)CCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H14O3/c1-8-7-9(4-6-11(12)13)3-5-10(8)14-2/h3,5,7H,4,6H2,1-2H3,(H,12,13) |
| InChIKey | InChI | 1.03 | ZATPJYSLVGVGGY-UHFFFAOYSA-N |
