| CAS Number | 112389-86-3 |
| Catalog Number | AG01B3WY(AGN-PC-0NXWJW) |
| Chemical Name | 2,2-dimethyloxolane-3-carbonitrile |
| IUPAC Name | 2,2-dimethyloxolane-3-carbonitrile |
| InChI | InChI=1S/C7H11NO/c1-7(2)6(5-8)3-4-9-7/h6H,3-4H2,1-2H3 |
| InChI Key | IORXUWLOWHNYMD-UHFFFAOYSA-N |
| MDL Number | MFCD29991734 |
| Molecular Formula | C7H11NO |
| Molecular Weight | 125.1683 |
| SMILES | CC1(C(C#N)CCO1)C |
| Synonyms | 2,2-dimethyloxolane-3-carbonitrile,
112389-86-3,
2,2-dimethyltetrahydrofuran-3-carbonitrile,
|
| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 125.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 125.171g/mol |
| Monoisotopic Mass | 125.084g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
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