| CAS Number | 220583-39-1 |
| Catalog Number | AG007PYM(AGN-PC-0NC481) |
| Chemical Name | 4-[Hydroxy(4-methylphenyl)methyl]benzonitrile |
| IUPAC Name | 4-[hydroxy-(4-methylphenyl)methyl]benzonitrile |
| InChI | InChI=1S/C15H13NO/c1-11-2-6-13(7-3-11)15(17)14-8-4-12(10-16)5-9-14/h2-9,15,17H,1H3 |
| InChI Key | IHCBWUWUQNNJLY-UHFFFAOYSA-N |
| MDL Number | MFCD11096856 |
| Molecular Formula | C15H13NO |
| Molecular Weight | 223.2698 |
| SMILES | N#Cc1ccc(cc1)C(c1ccc(cc1)C)O |
| Synonyms | 220583-39-1,
4-(Hydroxy(p-tolyl)methyl)benzonitrile,
4-[Hydroxy(4-methylphenyl)methyl]benzonitrile,
ACMC-209frc,
CTK8B1217,
DTXSID60446869,
1178AB,
ANW-24694,
MFCD11096856,
AKOS003583993,
AKOS016843508,
AX8243178,
TC-113439,
4-(alpha-Hydroxy-4-methylbenzyl)benzonitrile,
B-7945,
C15H13NO,
CID10878780,
4-[hydroxy-(4-methylphenyl)methyl]benzonitrile,
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| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.275g/mol |
| Monoisotopic Mass | 223.1g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 44A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number