| CAS Number | 64118-09-8 |
| Catalog Number | AG01C3AQ(AGN-PC-037PU8) |
| Chemical Name | 2-{bicyclo[2.2.1]heptan-2-yl}acetonitrile |
| IUPAC Name | 2-(2-bicyclo[2.2.1]heptanyl)acetonitrile |
| InChI | InChI=1S/C9H13N/c10-4-3-9-6-7-1-2-8(9)5-7/h7-9H,1-3,5-6H2 |
| InChI Key | KZBGLYZJWBLKLA-UHFFFAOYSA-N |
| MDL Number | MFCD17276632 |
| Molecular Formula | C9H13N |
| Molecular Weight | 135.2062 |
| NSC Number | 92769 |
| SMILES | N#CCC1C2CC(CC2)C1 |
| Synonyms | 2-{bicyclo[2.2.1]heptan-2-yl}acetonitrile,
64118-09-8,
Bicyclo[2.2.1]heptane-2-acetonitrile,
27108-25-4,
NSC92769,
bicyclo[2.2.1]hept-2-ylacetonitrile,
2-cyanomethylnorbornane,
SCHEMBL92838,
2-Norbornaneacetonitrile, exo-,
AC1L646S,
AC1Q4S56,
CTK2A7251,
NSC-92769,
AKOS012322578,
2-(3-bicyclo[2.2.1]heptanyl)acetonitrile,
2-(6-bicyclo[2.2.1]heptanyl)acetonitrile,
Z2327884044,
AR-1H9770,
CID260932,
27258-04-4,
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| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 135.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 135.21g/mol |
| Monoisotopic Mass | 135.105g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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