| CAS Number | 65885-27-0 |
| Catalog Number | AG00FX9N(AGN-PC-0JO93P) |
| Chemical Name | 3-[(Methylsulfonyl)oxy]propanenitrile |
| IUPAC Name | 2-cyanoethyl methanesulfonate |
| InChI | InChI=1S/C4H7NO3S/c1-9(6,7)8-4-2-3-5/h2,4H2,1H3 |
| InChI Key | XZXUHRRXUGMTRH-UHFFFAOYSA-N |
| MDL Number | MFCD21607743 |
| Molecular Formula | C4H7NO3S |
| Molecular Weight | 149.1683 |
| NSC Number | 26358 |
| SMILES | N#CCCOS(=O)(=O)C |
| Synonyms | 2-cyanoethyl methanesulfonate,
65885-27-0,
Propanenitrile,3-[(methylsulfonyl)oxy]-,
NSC26358,
AC1L5KKV,
AC1Q6Y8D,
SCHEMBL13039363,
CTK5C3221,
DTXSID40282525,
ZINC1628365,
NSC-26358,
AR-1E0868,
CID230925,
7393-43-3,
|
| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 149.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 149.164g/mol |
| Monoisotopic Mass | 149.015g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 75.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number