| CAS Number | 107289-41-8 |
| Catalog Number | AG01B2OO(AGN-PC-01UJ91) |
| Chemical Name | 4-Hydroxy-2,2-dimethylbutanenitrile |
| IUPAC Name | 4-hydroxy-2,2-dimethylbutanenitrile |
| InChI | InChI=1S/C6H11NO/c1-6(2,5-7)3-4-8/h8H,3-4H2,1-2H3 |
| InChI Key | UWJKJTAFQCZBLA-UHFFFAOYSA-N |
| MDL Number | MFCD21185377 |
| Molecular Formula | C6H11NO |
| Molecular Weight | 113.1576 |
| SMILES | CC(C#N)(CCO)C |
| Synonyms | 4-hydroxy-2,2-dimethylbutanenitrile,
107289-41-8,
SCHEMBL13672510,
ZINC83639375,
AKOS014585323,
|
| Complexity | 109 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 113.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 113.16g/mol |
| Monoisotopic Mass | 113.084g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 44A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
Lot Number