| CAS Number | 127703-35-9 |
| Catalog Number | AG009X13(AGN-PC-0WA54Y) |
| Chemical Name | 2-(4-Cyanophenyl)phenol |
| IUPAC Name | 4-(2-hydroxyphenyl)benzonitrile |
| InChI | InChI=1S/C13H9NO/c14-9-10-5-7-11(8-6-10)12-3-1-2-4-13(12)15/h1-8,15H |
| InChI Key | QNZKGZMRMGIXKO-UHFFFAOYSA-N |
| MDL Number | MFCD05854257 |
| Molecular Formula | C13H9NO |
| Molecular Weight | 195.2167 |
| SMILES | N#CC1=CC=C(C=C1)C1C=CC=CC=1O |
| Synonyms | 2-(4-Cyanophenyl)phenol,
2'-Hydroxy[1,1'-biphenyl]-4-carbonitrile,
127703-35-9,
SCHEMBL6925026,
4-(2-hydroxyphenyl)benzonitrile,
DTXSID20560393,
2'-Hydroxybiphenyl-4-carbonitrile,
MFCD06802201,
ZINC16946679,
AKOS004116574,
BB 0223252,
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| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.221g/mol |
| Monoisotopic Mass | 195.068g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 44A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
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