JLM
Summary
| Name: | 3-methyl-1-benzofuran-2-carboxylic acid |
| Formula: | C10 H8 O3 |
| Formal charge: | 0 |
| Formula weight: | 176.169 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-methyl-1-benzofuran-2-carboxylic acid |
| OpenEye OEToolkits | 2.0.6 | 3-methyl-1-benzofuran-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c12c(C)c(C(O)=O)oc1cccc2 |
| InChI | InChI | 1.03 | InChI=1S/C10H8O3/c1-6-7-4-2-3-5-8(7)13-9(6)10(11)12/h2-5H,1H3,(H,11,12) |
| InChIKey | InChI | 1.03 | YMZTUCZCQMQFMK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1c(oc2ccccc12)C(O)=O |
| SMILES | CACTVS | 3.385 | Cc1c(oc2ccccc12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c2ccccc2oc1C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c2ccccc2oc1C(=O)O |
