SR4
Summary
| Name: | 2,3-dihydro-1-benzoxepine-5-carboxylic acid |
| Formula: | C11 H10 O3 |
| Formal charge: | 0 |
| Formula weight: | 190.195 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2,3-dihydro-1-benzoxepine-5-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H10O3/c12-11(13)9-5-3-7-14-10-6-2-1-4-8(9)10/h1-2,4-6H,3,7H2,(H,12,13) |
| InChIKey | InChI | 1.03 | LEBOEWTWNOALHV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C1=CCCOc2ccccc12 |
| SMILES | CACTVS | 3.385 | OC(=O)C1=CCCOc2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)C(=CCCO2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)C(=CCCO2)C(=O)O |
