| CAS Number | 89937-59-7 |
| Catalog Number | AG01AI5Z(AGN-PC-0WODBX) |
| Chemical Name | 7-oxabicyclo[2.2.1]heptane-2-carbonitrile |
| IUPAC Name | 7-oxabicyclo[2.2.1]heptane-2-carbonitrile |
| InChI | InChI=1S/C7H9NO/c8-4-5-3-6-1-2-7(5)9-6/h5-7H,1-3H2 |
| InChI Key | SOCKWJNQKNADLU-UHFFFAOYSA-N |
| MDL Number | MFCD18838874 |
| Molecular Formula | C7H9NO |
| Molecular Weight | 123.1525 |
| SMILES | N#CC1C2OC(CC2)C1 |
| Synonyms | 7-oxabicyclo[2.2.1]heptane-2-carbonitrile,
89937-59-7,
SCHEMBL383993,
SOCKWJNQKNADLU-UHFFFAOYSA-N,
AKOS026730379,
MCULE-5502195042,
NE35293,
EN300-76800,
Z1259161714,
|
| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 123.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 123.155g/mol |
| Monoisotopic Mass | 123.068g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number