| CAS Number | 19362-96-0 |
| Catalog Number | AG01AAGP(AGN-PC-0QM9OA) |
| Chemical Name | 2-[hydroxy(phenyl)methyl]prop-2-enenitrile |
| IUPAC Name | 2-[hydroxy(phenyl)methyl]prop-2-enenitrile |
| InChI | InChI=1S/C10H9NO/c1-8(7-11)10(12)9-5-3-2-4-6-9/h2-6,10,12H,1H2 |
| InChI Key | SBDMZDGNPLMNDF-UHFFFAOYSA-N |
| MDL Number | MFCD11130356 |
| Molecular Formula | C10H9NO |
| Molecular Weight | 159.1846 |
| SMILES | OC(C1=CC=CC=C1)C(C#N)=C |
| Synonyms | 2-[hydroxy(phenyl)methyl]prop-2-enenitrile,
19362-96-0,
2-(hydroxy(phenyl)methyl)acrylonitrile,
2-[hydroxy(phenyl)methyl]acrylonitrile,
AC1Q76IF,
CHEMBL352113,
SCHEMBL10440996,
2-(alpha-Hydroxybenzyl)propenenitrile,
AKOS000209098,
AKOS022486644,
MCULE-9568543454,
NE24996,
EN300-68566,
Z1258955444,
CID10241077,
2-(hydroxy-phenyl-methyl)prop-2-enenitrile,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 159.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 159.188g/mol |
| Monoisotopic Mass | 159.068g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 44A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number