| CAS Number | 1780743-22-7 |
| Catalog Number | AG01DYW9 |
| Chemical Name | 4-hydroxy-5-methoxy-2-methylbenzonitrile |
| IUPAC Name | 4-hydroxy-5-methoxy-2-methylbenzonitrile |
| InChI | InChI=1S/C9H9NO2/c1-6-3-8(11)9(12-2)4-7(6)5-10/h3-4,11H,1-2H3 |
| InChI Key | HJKBKQJTEMLZMZ-UHFFFAOYSA-N |
| MDL Number | MFCD31665534 |
| Molecular Formula | C9H9NO2 |
| Molecular Weight | 163.1733 |
| SMILES | COC1=C(O)C=C(C)C(C#N)=C1 |
| Synonyms | 4-hydroxy-5-methoxy-2-methylbenzonitrile,
1780743-22-7,
|
| Complexity | 196 |
| 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 | 1 |
| Topological Polar Surface Area | 53.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number