93V
Summary
| Name: | 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid |
| Formula: | C13 H10 O6 |
| Formal charge: | 0 |
| Formula weight: | 262.215 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid |
| OpenEye OEToolkits | 2.0.6 | 2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(O)(c2c(c1ccc(cc1)OC)occ2C(=O)O)=O |
| InChI | InChI | 1.03 | InChI=1S/C13H10O6/c1-18-8-4-2-7(3-5-8)11-10(13(16)17)9(6-19-11)12(14)15/h2-6H,1H3,(H,14,15)(H,16,17) |
| InChIKey | InChI | 1.03 | QPGWVRKHYHUXOV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)c2occ(C(O)=O)c2C(O)=O |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1)c2occ(C(O)=O)c2C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1ccc(cc1)c2c(c(co2)C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | COc1ccc(cc1)c2c(c(co2)C(=O)O)C(=O)O |
