BZ2
Summary
| Name: | 1-benzofuran-2-carboxylic acid |
| Formula: | C9 H6 O3 |
| Formal charge: | 0 |
| Formula weight: | 162.142 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | 1-benzofuran-2-carboxylic acid |
| OpenEye OEToolkits | 1.6.1 | 1-benzofuran-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | O=C(O)c2oc1ccccc1c2 |
| SMILES_CANONICAL | CACTVS | 3.352 | OC(=O)c1oc2ccccc2c1 |
| SMILES | CACTVS | 3.352 | OC(=O)c1oc2ccccc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc2c(c1)cc(o2)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc2c(c1)cc(o2)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H6O3/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H,10,11) |
| InChIKey | InChI | 1.03 | OFFSPAZVIVZPHU-UHFFFAOYSA-N |
