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 |