0JD
Summary
| Name: | (2S)-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid |
| Formula: | C9 H8 O4 |
| Formal charge: | 0 |
| Formula weight: | 180.157 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid |
| OpenEye OEToolkits | 1.7.6 | (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C1Oc2ccccc2OC1 |
| InChI | InChI | 1.03 | InChI=1S/C9H8O4/c10-9(11)8-5-12-6-3-1-2-4-7(6)13-8/h1-4,8H,5H2,(H,10,11)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | HMBHAQMOBKLWRX-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)[C@@H]1COc2ccccc2O1 |
| SMILES | CACTVS | 3.370 | OC(=O)[CH]1COc2ccccc2O1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)OC[C@H](O2)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)OCC(O2)C(=O)O |
