01F
Summary
Name: | ethyl hydrogen carbonate |
Formula: | C3 H6 O3 |
Formal charge: | 0 |
Formula weight: | 90.078 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | ethyl hydrogen carbonate |
OpenEye OEToolkits | 1.7.0 | ethyl hydrogen carbonate |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)OCC |
SMILES_CANONICAL | CACTVS | 3.370 | CCOC(O)=O |
SMILES | CACTVS | 3.370 | CCOC(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCOC(=O)O |
SMILES | OpenEye OEToolkits | 1.7.0 | CCOC(=O)O |
InChI | InChI | 1.03 | InChI=1S/C3H6O3/c1-2-6-3(4)5/h2H2,1H3,(H,4,5) |
InChIKey | InChI | 1.03 | CQDGTJPVBWZJAZ-UHFFFAOYSA-N |