| CAS Number | 5397-43-3 |
| Catalog Number | AG00DB1G(AGN-PC-00Q3ZN) |
| Chemical Name | Tetrahydro-2h-pyran-2-carbonitrile |
| IUPAC Name | oxane-2-carbonitrile |
| InChI | InChI=1S/C6H9NO/c7-5-6-3-1-2-4-8-6/h6H,1-4H2 |
| InChI Key | LNHZORZALMMUQW-UHFFFAOYSA-N |
| MDL Number | MFCD08669509 |
| Molecular Formula | C6H9NO |
| Molecular Weight | 111.1418 |
| NSC Number | 4206 |
| SMILES | N#CC1CCCCO1 |
| Synonyms | tetrahydro-2h-pyran-2-carbonitrile,
5397-43-3,
oxane-2-carbonitrile,
2H-Pyran-2-carbonitrile, tetrahydro-,
NSC4206,
2H-Pyran-2-carbonitrile,tetrahydro-,
2-cyanotetrahydropyran,
AC1Q4RKX,
AC1L59DI,
SCHEMBL4485360,
CTK4J9157,
NSC-4206,
MFCD08669509,
AKOS012323311,
CS-0047273,
AR-1L6388,
CID220820,
610-99-1,
|
| Complexity | 113 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 111.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 111.144g/mol |
| Monoisotopic Mass | 111.068g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number