| CAS Number | 99705-29-0 |
| Catalog Number | AG00KDJC(AGN-PC-00MXTF) |
| Chemical Name | 3-Methoxy-2,2-dimethylpropanenitrile |
| IUPAC Name | 3-methoxy-2,2-dimethylpropanenitrile |
| InChI | InChI=1S/C6H11NO/c1-6(2,4-7)5-8-3/h5H2,1-3H3 |
| InChI Key | CEMLHCYKDRPMSS-UHFFFAOYSA-N |
| MDL Number | MFCD16251437 |
| Molecular Formula | C6H11NO |
| Molecular Weight | 113.1576 |
| SMILES | COCC(C#N)(C)C |
| Synonyms | 3-METHOXY-2,2-DIMETHYLPROPANENITRILE,
99705-29-0,
Methoxypivalonitrile,
SCHEMBL641728,
CTK5I0616,
DTXSID60543120,
CEMLHCYKDRPMSS-UHFFFAOYSA-N,
3-methoxy-2,2-dimethylpropionitrile,
ZINC34080224,
AKOS022468198,
MCULE-9099540228,
NE15961,
Propanenitrile, 3-methoxy-2,2-dimethyl-,
FT-0671070,
Z1694645336,
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| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 113.16g/mol |
| Monoisotopic Mass | 113.084g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number