| CAS Number | 858478-91-8 |
| Catalog Number | AG00G5MW(AGN-PC-0WAJ18) |
| Chemical Name | 3-Formyl-2-hydroxybenzonitrile |
| IUPAC Name | 3-formyl-2-hydroxybenzonitrile |
| InChI | InChI=1S/C8H5NO2/c9-4-6-2-1-3-7(5-10)8(6)11/h1-3,5,11H |
| InChI Key | ZEZNTASFXDNPHK-UHFFFAOYSA-N |
| MDL Number | MFCD16999771 |
| Molecular Formula | C8H5NO2 |
| Molecular Weight | 147.1308 |
| SMILES | OC1=C(C#N)C=CC=C1C=O |
| Synonyms | 3-formyl-2-hydroxybenzonitrile,
858478-91-8,
3-Cyano-2-hydroxybenzaldehyde,
2-Cyano-6-forMylphenol, 3-Cyano-2-hydroxybenzaldehyde,
2-Cyano-6-formylphenol,
SCHEMBL1515849,
DTXSID80608644,
ZEZNTASFXDNPHK-UHFFFAOYSA-N,
ZINC71789994,
MB25669,
BB 0261352,
3-Formyl-2-hydroxybenzonitrile - NEW PRODUCT,
|
| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 147.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 147.133g/mol |
| Monoisotopic Mass | 147.032g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 61.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number