B21
Summary
| Name: | 5-(2-METHOXYPHENYL)-2-FUROIC ACID |
| Formula: | C12 H10 O4 |
| Formal charge: | 0 |
| Formula weight: | 218.205 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5-(2-methoxyphenyl)furan-2-carboxylic acid |
| OpenEye OEToolkits | 1.5.0 | 5-(2-methoxyphenyl)furan-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)c2oc(c1c(OC)cccc1)cc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | COc1ccccc1c2oc(cc2)C(O)=O |
| SMILES | CACTVS | 3.341 | COc1ccccc1c2oc(cc2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1ccccc1c2ccc(o2)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | COc1ccccc1c2ccc(o2)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C12H10O4/c1-15-9-5-3-2-4-8(9)10-6-7-11(16-10)12(13)14/h2-7H,1H3,(H,13,14) |
| InChIKey | InChI | 1.03 | CHWVDGYLKPLBES-UHFFFAOYSA-N |
