| CAS Number | 84224-29-3 |
| Catalog Number | AG00G87O(AGN-PC-0NDF42) |
| Chemical Name | 4-Hydroxy-2-methoxybenzonitrile |
| IUPAC Name | 4-hydroxy-2-methoxybenzonitrile |
| InChI | InChI=1S/C8H7NO2/c1-11-8-4-7(10)3-2-6(8)5-9/h2-4,10H,1H3 |
| InChI Key | RXUUWXWVOHQXLN-UHFFFAOYSA-N |
| MDL Number | MFCD08692760 |
| Molecular Formula | C8H7NO2 |
| Molecular Weight | 149.1467 |
| SMILES | COC1=C(C#N)C=CC(O)=C1 |
| Synonyms | 4-HYDROXY-2-METHOXYBENZONITRILE,
84224-29-3,
4-hydroxy-2-methoxy-benzonitrile,
2-Methoxy-4-oxybenzonitril,
SCHEMBL1174828,
2-methoxy-4-hydroxybenzonitrile,
4-Hydroxy-2-methoxy benzonitrile,
RXUUWXWVOHQXLN-UHFFFAOYSA-N,
Benzonitrile, 4-hydroxy-2-methoxy-,
2829AJ,
ZINC13481434,
AKOS000276894,
AS06316,
CM10236,
MB06526,
AJ-63909,
Z-5713,
C8H7NO2,
CID10953681,
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| 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
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Certificate of Analysis
Lot Number