| CAS Number | 194862-82-3 |
| Catalog Number | AG01B4WN(AGN-PC-0N58Z3) |
| Chemical Name | 4-(Cyanomethyl)oxane-4-carbonitrile |
| IUPAC Name | 4-(cyanomethyl)oxane-4-carbonitrile |
| InChI | InChI=1S/C8H10N2O/c9-4-1-8(7-10)2-5-11-6-3-8/h1-3,5-6H2 |
| InChI Key | QBNGKWDKDHYYHE-UHFFFAOYSA-N |
| MDL Number | MFCD12406022 |
| Molecular Formula | C8H10N2O |
| Molecular Weight | 150.1778 |
| SMILES | N#CCC1(C#N)CCOCC1 |
| Synonyms | 4-(cyanomethyl)oxane-4-carbonitrile,
194862-82-3,
Z2526439736,
CID10487020,
4-(cyanomethyl)tetrahydro-2H-pyran-4-carbonitrile,
4-(cyanomethyl)-tetrahydro-2H-pyran-4-carbonitrile,
DTXSID90440633,
4-(cyanomethyl)-4-oxanecarbonitrile,
ZINC33359281,
AKOS015918842,
FT-0656084,
A813762,
S14-0380,
|
| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 150.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 150.181g/mol |
| Monoisotopic Mass | 150.079g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 56.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number