A8G
Summary
| Name: | (2S)-oxetane-2-carboxylic acid |
| Formula: | C4 H6 O3 |
| Formal charge: | 0 |
| Formula weight: | 102.089 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-oxetane-2-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-oxetane-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C1CCO1 |
| InChI | InChI | 1.03 | InChI=1S/C4H6O3/c5-4(6)3-1-2-7-3/h3H,1-2H2,(H,5,6)/t3-/m0/s1 |
| InChIKey | InChI | 1.03 | ZKCXAZCRQJSFTQ-VKHMYHEASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@@H]1CCO1 |
| SMILES | CACTVS | 3.385 | OC(=O)[CH]1CCO1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1CO[C@@H]1C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1COC1C(=O)O |
