| CAS Number | 893736-80-6 |
| Catalog Number | AG00IFOF(AGN-PC-0WRA8A) |
| Chemical Name | 3-Acetyl-4'-(benzyloxy)biphenyl |
| IUPAC Name | 1-[3-(4-phenylmethoxyphenyl)phenyl]ethanone |
| InChI | InChI=1S/C21H18O2/c1-16(22)19-8-5-9-20(14-19)18-10-12-21(13-11-18)23-15-17-6-3-2-4-7-17/h2-14H,15H2,1H3 |
| InChI Key | PDFIPVXUJAXRLQ-UHFFFAOYSA-N |
| MDL Number | MFCD06802282 |
| Molecular Formula | C21H18O2 |
| Molecular Weight | 302.3664 |
| SMILES | C1=C(C=CC=C1C(C)=O)C1C=CC(=CC=1)OCC1=CC=CC=C1 |
| Synonyms | 893736-80-6,
3-Acetyl-4'-(benzyloxy)biphenyl,
1-[4'-(Benzyloxy)[1,1'-biphenyl]-3-yl]ethanone,
1-(4'-(Benzyloxy)-[1,1'-biphenyl]-3-yl)ethanone,
KM3927,
MFCD06802282,
ZINC16946927,
AKOS004116130,
BB 0223333,
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| Complexity | 364 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 302.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 302.373g/mol |
| Monoisotopic Mass | 302.131g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
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Certificate of Analysis
Lot Number