| CAS Number | 1184486-24-5 |
| Catalog Number | AG01AFC1 |
| Chemical Name | 4-(4-hydroxyphenoxy)-3-methylbenzonitrile |
| IUPAC Name | 4-(4-hydroxyphenoxy)-3-methylbenzonitrile |
| InChI | InChI=1S/C14H11NO2/c1-10-8-11(9-15)2-7-14(10)17-13-5-3-12(16)4-6-13/h2-8,16H,1H3 |
| InChI Key | YMYZISJEPBXEIZ-UHFFFAOYSA-N |
| MDL Number | MFCD12872560 |
| Molecular Formula | C14H11NO2 |
| Molecular Weight | 225.2426 |
| SMILES | CC1=C(OC2=CC=C(O)C=C2)C=CC(C#N)=C1 |
| Synonyms | 4-(4-hydroxyphenoxy)-3-methylbenzonitrile,
1184486-24-5,
ZINC37732779,
AKOS005934610,
NE57016,
EN300-153058,
|
| Complexity | 288 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.247g/mol |
| Monoisotopic Mass | 225.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number