| CAS Number | 872988-59-5 |
| Catalog Number | AG01BVQK(AGN-PC-0OKXDP) |
| Chemical Name | Spiro[2.3]hexane-5-carbonitrile |
| IUPAC Name | spiro[2.3]hexane-5-carbonitrile |
| InChI | InChI=1S/C7H9N/c8-5-6-3-7(4-6)1-2-7/h6H,1-4H2 |
| InChI Key | ALEHCHMDJFQQAJ-UHFFFAOYSA-N |
| MDL Number | MFCD18791194 |
| Molecular Formula | C7H9N |
| Molecular Weight | 107.1531 |
| SMILES | N#CC1CC2(CC2)C1 |
| Synonyms | Spiro[2.3]hexane-5-carbonitrile,
872988-59-5,
ZINC196221860,
|
| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 107.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 107.156g/mol |
| Monoisotopic Mass | 107.073g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number