MS0
Summary
| Name: | (6-methoxy-1-benzofuran-3-yl)acetic acid |
| Formula: | C11 H10 O4 |
| Formal charge: | 0 |
| Formula weight: | 206.195 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (6-methoxy-1-benzofuran-3-yl)acetic acid |
| OpenEye OEToolkits | 1.7.0 | 2-(6-methoxy-1-benzofuran-3-yl)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)Cc1c2ccc(OC)cc2oc1 |
| SMILES_CANONICAL | CACTVS | 3.370 | COc1ccc2c(CC(O)=O)coc2c1 |
| SMILES | CACTVS | 3.370 | COc1ccc2c(CC(O)=O)coc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | COc1ccc2c(c1)occ2CC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | COc1ccc2c(c1)occ2CC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H10O4/c1-14-8-2-3-9-7(4-11(12)13)6-15-10(9)5-8/h2-3,5-6H,4H2,1H3,(H,12,13) |
| InChIKey | InChI | 1.03 | QCXJFLREQGIACT-UHFFFAOYSA-N |
