| CAS Number | 57928-96-8 |
| Catalog Number | AG00EL8T(AGN-PC-0KK3ET) |
| Chemical Name | 4-(2-Hydroxyethoxy)benzonitrile |
| IUPAC Name | 4-(2-hydroxyethoxy)benzonitrile |
| InChI | InChI=1S/C9H9NO2/c10-7-8-1-3-9(4-2-8)12-6-5-11/h1-4,11H,5-6H2 |
| InChI Key | NDOQCISMESWUST-UHFFFAOYSA-N |
| MDL Number | MFCD00832129 |
| Molecular Formula | C9H9NO2 |
| Molecular Weight | 163.1733 |
| SMILES | OCCOc1ccc(cc1)C#N |
| Synonyms | 4-(2-hydroxyethoxy)benzonitrile,
57928-96-8,
AC1MBPLV,
Maybridge3_005560,
Oprea1_496291,
SCHEMBL410754,
CTK8J4365,
HMS1446M16,
ZINC4336729,
KM0154,
MFCD00832129,
4-(2-hydroxyethoxy)benzenecarbonitrile,
AKOS000184564,
MCULE-5705535233,
IDI1_016947,
FT-0729363,
ST50450158,
EN300-74320,
4- BENZONITRILE,
ZINC04336729,
CID2729308,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.176g/mol |
| Monoisotopic Mass | 163.063g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 53.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
|
Signal Words
|
|
Certificate of Analysis
Lot Number