GJM
Summary
| Name: | (2S)-oxane-2-carboxylic acid |
| Formula: | C6 H10 O3 |
| Formal charge: | 0 |
| Formula weight: | 130.142 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-oxane-2-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-oxane-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C1CCCCO1 |
| InChI | InChI | 1.06 | InChI=1S/C6H10O3/c7-6(8)5-3-1-2-4-9-5/h5H,1-4H2,(H,7,8)/t5-/m0/s1 |
| InChIKey | InChI | 1.06 | MQAYFGXOFCEZRW-YFKPBYRVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@@H]1CCCCO1 |
| SMILES | CACTVS | 3.385 | OC(=O)[CH]1CCCCO1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1CCO[C@@H](C1)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1CCOC(C1)C(=O)O |
