| CAS Number | 33695-59-9 |
| Catalog Number | AG00D1FL(AGN-PC-0WB63E) |
| Chemical Name | 2-Methoxypropanenitrile |
| IUPAC Name | 2-methoxypropanenitrile |
| InChI | InChI=1S/C4H7NO/c1-4(3-5)6-2/h4H,1-2H3 |
| InChI Key | SFPQDYSOPQHZAQ-UHFFFAOYSA-N |
| MDL Number | MFCD16079402 |
| Molecular Formula | C4H7NO |
| Molecular Weight | 85.1045 |
| SMILES | N#CC(C)OC |
| Synonyms | 2-methoxypropanenitrile,
33695-59-9,
methoxypropionitrile,
Propanenitrile, 2-methoxy-,
Propanenitrile, methoxy-,
(R)-(+)-2-Methoxypropionitrile,
2-Methoxypropiononitrile,
AC1L3JVZ,
CTK0J2998,
SFPQDYSOPQHZAQ-UHFFFAOYSA-N,
ALBB-022339,
MFCD16079402,
AKOS010960733,
Y-7634,
26856-69-9,
3-Methoxypropionitrile,
CID141829,
ZINC02382892,
64531-49-3,
|
| Complexity | 70.9 |
| 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 | 1 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number