| CAS Number | 62957-60-2 |
| Catalog Number | AG00EL2T(AGN-PC-0JMTL8) |
| Chemical Name | 2-Ethoxyacetonitrile |
| IUPAC Name | 2-ethoxyacetonitrile |
| InChI | InChI=1S/C4H7NO/c1-2-6-4-3-5/h2,4H2,1H3 |
| InChI Key | WPYUCWSMVJJWFI-UHFFFAOYSA-N |
| MDL Number | MFCD09934087 |
| Molecular Formula | C4H7NO |
| Molecular Weight | 85.1045 |
| SMILES | C(C)OCC#N |
| Synonyms | 2-ethoxyacetonitrile,
Ethoxyacetonitrile,
62957-60-2,
Acetonitrile, ethoxy-,
Aethoxyacetonitril,
Ethoxyacetonitrile #,
AC1L3O7L,
CTK5B6791,
DTXSID10212157,
WPYUCWSMVJJWFI-UHFFFAOYSA-N,
ZINC5858665,
AKOS000173702,
MCULE-6709940440,
NE19858,
EN300-90502,
ETHYL CARBONOCYANIDATE,
CID143946,
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| Complexity | 61.2 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 85.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 6 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 85.106g/mol |
| Monoisotopic Mass | 85.053g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 33A^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