YEF
Summary
| Name: | 4-(4-methoxyphenyl)oxane-4-carboxylic acid |
| Formula: | C13 H16 O4 |
| Formal charge: | 0 |
| Formula weight: | 236.264 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(4-methoxyphenyl)oxane-4-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | 4-(4-methoxyphenyl)oxane-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(=O)C1(CCOCC1)c1ccc(OC)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C13H16O4/c1-16-11-4-2-10(3-5-11)13(12(14)15)6-8-17-9-7-13/h2-5H,6-9H2,1H3,(H,14,15) |
| InChIKey | InChI | 1.06 | HUAOQQIUUYXNFN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)C2(CCOCC2)C(O)=O |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1)C2(CCOCC2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)C2(CCOCC2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)C2(CCOCC2)C(=O)O |
