| CAS Number | 345892-44-6 |
| Catalog Number | AG01A4WA |
| Chemical Name | Spiro[2.2]pentane-1-carbonitrile |
| IUPAC Name | spiro[2.2]pentane-2-carbonitrile |
| InChI | InChI=1S/C6H7N/c7-4-5-3-6(5)1-2-6/h5H,1-3H2 |
| InChI Key | BNPPLVMEMALWJN-UHFFFAOYSA-N |
| MDL Number | MFCD28653875 |
| Molecular Formula | C6H7N |
| Molecular Weight | 93.1265 |
| SMILES | N#CC1CC21CC2 |
| Synonyms | spiro[2.2]pentane-1-carbonitrile,
345892-44-6,
AKOS024046878,
CS-0067337,
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| Complexity | 147 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 93.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 93.129g/mol |
| Monoisotopic Mass | 93.058g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
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