IBU
Summary
| Name: | 2-methylpropyl hydrogen carbonate |
| Formula: | C5 H10 O3 |
| Formal charge: | 0 |
| Formula weight: | 118.131 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-methylpropyl hydrogen carbonate |
| OpenEye OEToolkits | 1.5.0 | 2-methylpropyl hydrogen carbonate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)OCC(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)COC(O)=O |
| SMILES | CACTVS | 3.341 | CC(C)COC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)COC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)COC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H10O3/c1-4(2)3-8-5(6)7/h4H,3H2,1-2H3,(H,6,7) |
| InChIKey | InChI | 1.03 | QRAFJHXNLQTXQW-UHFFFAOYSA-N |
