RQG
Summary
| Name: | (5-methyl-1-benzofuran-3-yl)acetic acid |
| Formula: | C11 H10 O3 |
| Formal charge: | 0 |
| Formula weight: | 190.195 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5-methyl-1-benzofuran-3-yl)acetic acid |
| OpenEye OEToolkits | 2.0.7 | 2-(5-methyl-1-benzofuran-3-yl)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(Cc2c1cc(C)ccc1oc2)(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C11H10O3/c1-7-2-3-10-9(4-7)8(6-14-10)5-11(12)13/h2-4,6H,5H2,1H3,(H,12,13) |
| InChIKey | InChI | 1.03 | DUMCTHVOZLFMDK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc2occ(CC(O)=O)c2c1 |
| SMILES | CACTVS | 3.385 | Cc1ccc2occ(CC(O)=O)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc2c(c1)c(co2)CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc2c(c1)c(co2)CC(=O)O |
