| CAS Number | 5861-24-5 |
| Catalog Number | AG00IAF3(AGN-PC-0NHG7P) |
| Chemical Name | 2,2-dimethoxyacetonitrile |
| IUPAC Name | 2,2-dimethoxyacetonitrile |
| InChI | InChI=1S/C4H7NO2/c1-6-4(3-5)7-2/h4H,1-2H3 |
| InChI Key | GSWMRKGWNADDJL-UHFFFAOYSA-N |
| MDL Number | MFCD17215902 |
| Molecular Formula | C4H7NO2 |
| Molecular Weight | 101.1039 |
| SMILES | COC(C#N)OC |
| Synonyms | 2,2-dimethoxyacetonitrile,
5861-24-5,
Acetonitrile, dimethoxy-,
dimethoxyacetonitrile,
dimethoxy acetonitrile,
SCHEMBL3579282,
CTK1E9312,
DTXSID80458227,
ZINC38349997,
AKOS022174095,
AJ-95197,
Z2798562737,
CID11194298,
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| Complexity | 78.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 101.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 101.105g/mol |
| Monoisotopic Mass | 101.048g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number