| CAS Number | 124993-53-9 |
| Catalog Number | AG009Y3I(AGN-PC-03XV8Y) |
| Chemical Name | 3-Hydroxy-5-methoxybenzonitrile |
| IUPAC Name | 3-hydroxy-5-methoxybenzonitrile |
| InChI | InChI=1S/C8H7NO2/c1-11-8-3-6(5-9)2-7(10)4-8/h2-4,10H,1H3 |
| InChI Key | QBXVEVNURVZFTM-UHFFFAOYSA-N |
| MDL Number | MFCD11520902 |
| Molecular Formula | C8H7NO2 |
| Molecular Weight | 149.1467 |
| SMILES | COC1=CC(C#N)=CC(O)=C1 |
| Synonyms | 3-HYDROXY-5-METHOXYBENZONITRILE,
124993-53-9,
3-CYANO-5-METHOXYPHENOL,
SCHEMBL1344294,
3-Methoxy-5-hydroxybenzonitrile,
QBXVEVNURVZFTM-UHFFFAOYSA-N,
3-hydroxy-5-(methyloxy)benzonitrile,
Benzonitrile, 3-hydroxy-5-methoxy-,
ZINC13481509,
AKOS006324304,
MB09942,
NE28775,
FT-0696861,
Z1881599520,
|
| 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 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number