Q6T
Summary
| Name: | 1,3-benzodioxole-4-carboxylic acid |
| Formula: | C8 H6 O4 |
| Formal charge: | 0 |
| Formula weight: | 166.131 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1,3-benzodioxole-4-carboxylic acid |
| OpenEye OEToolkits | 1.9.2 | 1,3-benzodioxole-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1cccc2OCOc12 |
| InChI | InChI | 1.03 | InChI=1S/C8H6O4/c9-8(10)5-2-1-3-6-7(5)12-4-11-6/h1-3H,4H2,(H,9,10) |
| InChIKey | InChI | 1.03 | DBUAYOWCIUQXQW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cccc2OCOc12 |
| SMILES | CACTVS | 3.385 | OC(=O)c1cccc2OCOc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(c2c(c1)OCO2)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(c2c(c1)OCO2)C(=O)O |
