| CAS Number | 1235035-68-3 |
| Catalog Number | AG009WS4 |
| Chemical Name | 3-(4-Hydroxyphenyl)pyridine-2-carbonitrile |
| IUPAC Name | 3-(4-hydroxyphenyl)pyridine-2-carbonitrile |
| InChI | InChI=1S/C12H8N2O/c13-8-12-11(2-1-7-14-12)9-3-5-10(15)6-4-9/h1-7,15H |
| InChI Key | OGZWLRZYPIHSME-UHFFFAOYSA-N |
| MDL Number | MFCD22689141 |
| Molecular Formula | C12H8N2O |
| Molecular Weight | 196.2047 |
| SMILES | N#Cc1ncccc1c1ccc(cc1)O |
| Synonyms | 3-(4-hydroxyphenyl)pyridine-2-carbonitrile,
1235035-68-3,
3-(4-hydroxyphenyl)picolinonitrile,
SCHEMBL2474360,
OGZWLRZYPIHSME-UHFFFAOYSA-N,
ZINC95495518,
AKOS026672536,
CJ-22689,
Z8716,
C12H8N2O,
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| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.209g/mol |
| Monoisotopic Mass | 196.064g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 56.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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