Acetonitrile SG
Chemical Information
Acetonitrile is a nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a methyl group. It has a role as a polar aprotic solvent and an EC 3.5.1.4 (amidase) inhibitor. It is a volatile organic compound and an aliphatic nitrile.
| CAS Number | 75-05-8 |
| PubChem CID | 6342 |
| IUPAC Name | acetonitrile |
| Molecular Formula | C2H3N |
| Molecular Weight | 41.05 |
| XLogP | 0 |
| Topological Polar Surface Area | 23.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Heavy Atom Count | 3 |
| Formal Charge | 0 |
| Complexity | 29 |
| Property | Value |
|---|---|
| Molecular Weight | 41.05 |
| XLogP3 | 0 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 41.026549100 |
| Monoisotopic Mass | 41.026549100 |
| Topological Polar Surface Area | 23.8 Ų |
| Heavy Atom Count | 3 |
| Formal Charge | 0 |
| Complexity | 29.3 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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