| CAS Number | 893736-77-1 |
| Catalog Number | AG00IFOE(AGN-PC-0WRA81) |
| Chemical Name | 3-Acetyl-3'-benzyloxybiphenyl |
| IUPAC Name | 1-[3-(3-phenylmethoxyphenyl)phenyl]ethanone |
| InChI | InChI=1S/C21H18O2/c1-16(22)18-9-5-10-19(13-18)20-11-6-12-21(14-20)23-15-17-7-3-2-4-8-17/h2-14H,15H2,1H3 |
| InChI Key | LOFLKIGWZXMINJ-UHFFFAOYSA-N |
| MDL Number | MFCD06802280 |
| Molecular Formula | C21H18O2 |
| Molecular Weight | 302.3664 |
| SMILES | C1C(=CC=CC=1C1=CC=CC(=C1)OCC1C=CC=CC=1)C(C)=O |
| Synonyms | 3-Acetyl-3'-benzyloxybiphenyl,
893736-77-1,
1-[3'-(Benzyloxy)[1,1'-biphenyl]-3-yl]ethanone,
1-(3'-(Benzyloxy)-[1,1'-biphenyl]-3-yl)ethanone,
KM3932,
MFCD06802280,
ZINC16946922,
AKOS004116093,
BB 0223331,
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| Complexity | 372 |
| 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