| CAS Number | 15464-07-0 |
| Catalog Number | AG01AN5M(AGN-PC-0Q6RQ1) |
| Chemical Name | 4-[Cyano(hydroxy)methyl]benzonitrile |
| IUPAC Name | 4-[cyano(hydroxy)methyl]benzonitrile |
| InChI | InChI=1S/C9H6N2O/c10-5-7-1-3-8(4-2-7)9(12)6-11/h1-4,9,12H |
| InChI Key | RKXDJWPWCJQMKO-UHFFFAOYSA-N |
| MDL Number | MFCD12169333 |
| Molecular Formula | C9H6N2O |
| Molecular Weight | 158.1567 |
| SMILES | OC(C1=CC=C(C#N)C=C1)C#N |
| Synonyms | 4-[cyano(hydroxy)methyl]benzonitrile,
15464-07-0,
4-Cyanophenylhydroxyacetonitrile,
SCHEMBL7865922,
AKOS005362887,
4-(cyano-hydroxy-methyl)benzonitrile,
CID10607028,
|
| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.16g/mol |
| Monoisotopic Mass | 158.048g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 67.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number