| CAS Number | 1261931-47-8 |
| Catalog Number | AG00HMAD(AGN-PC-0WRA28) |
| Chemical Name | 2-Cyano-5-(3-formylphenyl)phenol |
| IUPAC Name | 4-(3-formylphenyl)-2-hydroxybenzonitrile |
| InChI | InChI=1S/C14H9NO2/c15-8-13-5-4-12(7-14(13)17)11-3-1-2-10(6-11)9-16/h1-7,9,17H |
| InChI Key | ORIFYTFYZTXXMJ-UHFFFAOYSA-N |
| MDL Number | MFCD18314175 |
| Molecular Formula | C14H9NO2 |
| Molecular Weight | 223.2268 |
| SMILES | O=Cc1cccc(c1)c1ccc(c(c1)O)C#N |
| Synonyms | 2-CYANO-5-(3-FORMYLPHENYL)PHENOL,
1261931-47-8,
3'-Formyl-3-hydroxy-[1,1'-biphenyl]-4-carbonitrile,
DTXSID60684643,
MFCD18314175,
ZINC65341311,
3'-Formyl-3-hydroxy[1,1'-biphenyl]-4-carbonitrile,
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| Complexity | 319 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.231g/mol |
| Monoisotopic Mass | 223.063g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 61.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number