| CAS Number | 28177-80-2 |
| Catalog Number | AG00BIU6(AGN-PC-0NIKIX) |
| Chemical Name | 2-Hydroxyisophthalonitrile |
| IUPAC Name | 2-hydroxybenzene-1,3-dicarbonitrile |
| InChI | InChI=1S/C8H4N2O/c9-4-6-2-1-3-7(5-10)8(6)11/h1-3,11H |
| InChI Key | WZAIJYCWGMNGJW-UHFFFAOYSA-N |
| MDL Number | MFCD16999196 |
| Molecular Formula | C8H4N2O |
| Molecular Weight | 144.1302 |
| SMILES | N#Cc1cccc(c1O)C#N |
| Synonyms | 2-HYDROXYISOPHTHALONITRILE,
28177-80-2,
SCHEMBL3032522,
MB37800,
2-HYDROXYBENZENE-1,3-DICARBONITRILE,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 144.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 144.133g/mol |
| Monoisotopic Mass | 144.032g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 67.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number