| CAS Number | 2567-01-3 |
| Catalog Number | AG00BUGX(AGN-PC-03VGFS) |
| Chemical Name | 3-Hydroxy-2-methylpropanenitrile |
| EC Number | 219-902-2 |
| IUPAC Name | 3-hydroxy-2-methylpropanenitrile |
| InChI | InChI=1S/C4H7NO/c1-4(2-5)3-6/h4,6H,3H2,1H3 |
| InChI Key | COZQDNPLORIALF-UHFFFAOYSA-N |
| MDL Number | MFCD11653306 |
| Molecular Formula | C4H7NO |
| Molecular Weight | 85.1045 |
| SMILES | CC(C#N)CO |
| Synonyms | 3-hydroxy-2-methylpropanenitrile,
2567-01-3,
Propanenitrile, 3-hydroxy-2-methyl-,
PROPYLENE CYANOHYDRIN,
beta-hydroxyisobutyronitrile,
AC1L29VN,
2-(Hydroxymethyl)propanenitrile,
CTK4F6250,
3-Hydroxy-2-methylpropiononitrile,
Propanenitrile,3-hydroxy-2-methyl-,
EINECS 219-902-2,
MFCD11653306,
AKOS009387606,
MCULE-1644391554,
NE57010,
Z1456185599,
CID17377,
|
| Complexity | 70.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 85.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 6 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 85.106g/mol |
| Monoisotopic Mass | 85.053g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 44A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number