| CAS Number | 180526-90-3 |
| Catalog Number | AG01BFLA(AGN-PC-0NCUKM) |
| Chemical Name | 5-Hydroxy-2-methoxybenzonitrile |
| IUPAC Name | 5-hydroxy-2-methoxybenzonitrile |
| InChI | InChI=1S/C8H7NO2/c1-11-8-3-2-7(10)4-6(8)5-9/h2-4,10H,1H3 |
| InChI Key | DELKLBKHSGNEJN-UHFFFAOYSA-N |
| MDL Number | MFCD16998765 |
| Molecular Formula | C8H7NO2 |
| Molecular Weight | 149.1467 |
| SMILES | COC1=C(C#N)C=C(O)C=C1 |
| Synonyms | 5-HYDROXY-2-METHOXYBENZONITRILE,
2-Cyano-4-hydroxyanisole,
180526-90-3,
SCHEMBL3027438,
2-Methoxy-5-hydroxybenzonitrile,
DELKLBKHSGNEJN-UHFFFAOYSA-N,
ZINC95722397,
AKOS027368769,
MB32417,
NE50927,
Z1918018685,
5-hydroxy-2-methoxy-benzonitrile,
CID10920675,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 149.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 149.149g/mol |
| Monoisotopic Mass | 149.048g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 53.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number