| CAS Number | 4997-55-1 |
| Catalog Number | AG00DL19(AGN-PC-0WOIKW) |
| Chemical Name | 3-Ethyl-4-hydroxybenzonitrile |
| IUPAC Name | 3-ethyl-4-hydroxybenzonitrile |
| InChI | InChI=1S/C9H9NO/c1-2-8-5-7(6-10)3-4-9(8)11/h3-5,11H,2H2,1H3 |
| InChI Key | WOGUHLJHWBRZST-UHFFFAOYSA-N |
| MDL Number | MFCD16997588 |
| Molecular Formula | C9H9NO |
| Molecular Weight | 147.1739 |
| SMILES | CCC1=C(O)C=CC(C#N)=C1 |
| Synonyms | 3-ETHYL-4-HYDROXYBENZONITRILE,
4997-55-1,
Benzonitrile, 3-ethyl-4-hydroxy-,
3-ethyl-4-hydroxy-benzonitrile,
SCHEMBL12594178,
WOGUHLJHWBRZST-UHFFFAOYSA-N,
ZINC95711062,
AKOS030756797,
MB23616,
Z1993522671,
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 147.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 147.177g/mol |
| Monoisotopic Mass | 147.068g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 44A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number