| CAS Number | 489432-33-9 |
| Catalog Number | AG00I8TO(AGN-PC-0NHLW9) |
| Chemical Name | 5-Hydroxy-4,4-dimethyl-3-oxopentanenitrile |
| IUPAC Name | 5-hydroxy-4,4-dimethyl-3-oxopentanenitrile |
| InChI | InChI=1S/C7H11NO2/c1-7(2,5-9)6(10)3-4-8/h9H,3,5H2,1-2H3 |
| InChI Key | IJVQRWPXBNGDTA-UHFFFAOYSA-N |
| MDL Number | MFCD16620311 |
| Molecular Formula | C7H11NO2 |
| Molecular Weight | 141.1677 |
| SMILES | CC(C(CC#N)=O)(CO)C |
| Synonyms | 5-hydroxy-4,4-dimethyl-3-oxopentanenitrile,
489432-33-9,
SCHEMBL769518,
IJVQRWPXBNGDTA-UHFFFAOYSA-N,
MFCD16620311,
ZINC38841245,
AS-44831,
5-hydroxy-4,4-dimethyl-3-oxo-pentanenitrile,
|
| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 141.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 141.17g/mol |
| Monoisotopic Mass | 141.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 61.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number