| CAS Number | 66502-25-8 |
| Catalog Number | AG019XBO |
| Chemical Name | 2-Propoxyacetonitrile |
| IUPAC Name | 2-propoxyacetonitrile |
| InChI | InChI=1S/C5H9NO/c1-2-4-7-5-3-6/h2,4-5H2,1H3 |
| InChI Key | PXWNGTUJADMZEQ-UHFFFAOYSA-N |
| MDL Number | MFCD11619266 |
| Molecular Formula | C5H9NO |
| Molecular Weight | 99.1311 |
| SMILES | CCCOCC#N |
| Synonyms | 2-propoxyacetonitrile,
propoxyacetonitrile,
66502-25-8,
AC1Q2YHU,
CTK6E6283,
PXWNGTUJADMZEQ-UHFFFAOYSA-N,
ZINC37025450,
NE45437,
EN300-54593,
|
| Complexity | 71.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 99.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 99.133g/mol |
| Monoisotopic Mass | 99.068g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number