3A9
Summary
| Name: | 2,3-dihydro-1-benzofuran-5-carboxylic acid |
| Formula: | C9 H8 O3 |
| Formal charge: | 0 |
| Formula weight: | 164.158 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2,3-dihydro-1-benzofuran-5-carboxylic acid |
| OpenEye OEToolkits | 1.7.6 | 2,3-dihydro-1-benzofuran-5-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c2cc1c(OCC1)cc2 |
| InChI | InChI | 1.03 | InChI=1S/C9H8O3/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-2,5H,3-4H2,(H,10,11) |
| InChIKey | InChI | 1.03 | YXYOLVAXVPOIMA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc2OCCc2c1 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccc2OCCc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1C(=O)O)CCO2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1C(=O)O)CCO2 |
