| CAS Number | 5648-87-3 |
| Catalog Number | AG019T4G(AGN-PC-0SLQKM) |
| Chemical Name | Cyclopropaneacetonitrile, a-hydroxy- |
| IUPAC Name | 2-cyclopropyl-2-hydroxyacetonitrile |
| InChI | InChI=1S/C5H7NO/c6-3-5(7)4-1-2-4/h4-5,7H,1-2H2 |
| InChI Key | ILJKKAIQFPEIBL-UHFFFAOYSA-N |
| MDL Number | MFCD14622836 |
| Molecular Formula | C5H7NO |
| Molecular Weight | 97.1152 |
| SMILES | C1(CC1)C(C#N)O |
| Synonyms | 2-cyclopropyl-2-hydroxyacetonitrile,
5648-87-3,
Cyclopropylcarboxaldehyde,
cyclopropylcarboxaldehye,
cylopropyl carboxaldehyde,
cyclopropyl carboxaldehyde,
cyclopropyl-carboxaldehyde,
cyclopropyl-hydroxy-acetonitrile,
CHEMBL2271406,
ILJKKAIQFPEIBL-UHFFFAOYSA-N,
2-Hydroxy-2-cyclopropylacetonitrile,
Cyclopropaneacetonitrile, a-hydroxy-,
AKOS010564531,
MCULE-8814691593,
NE20207,
2-cyclopropyl-2-hydroxy-acetonitrile,
CID11389359,
|
| Complexity | 109 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 97.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 97.117g/mol |
| Monoisotopic Mass | 97.053g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 44A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number