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1,4-Dibenzoylbenzene - 98%, high purity , CAS No.3016-97-5
Basic Description
Synonyms | TimTec1_004772 | 1,4-Dibenzoylbenzene | AMY38649 | SR-01000539208-1 | DTXSID70184245 | 4-Benzoylbenzophenone | 6V7FTE1Z1V | FT-0606840 | STK700910 | 1,4-Phenylenebis(phenylmethanone) | 8-Hydroxyfuranocoumarin | D4196 | J-017808 | Methanone, 1,4-phenyleneb |
Specifications & Purity | ≥98% |
Shipped In | Normal |
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Names and Identifiers
Pubchem Sid | 488185258 |
Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488185258 |
IUPAC Name | (4-benzoylphenyl)-phenylmethanone |
INCHI | InChI=1S/C20H14O2/c21-19(15-7-3-1-4-8-15)17-11-13-18(14-12-17)20(22)16-9-5-2-6-10-16/h1-14H |
InChi Key | NPENBPVOAXERED-UHFFFAOYSA-N |
Canonical SMILES | C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3 |
Isomeric SMILES | C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3 |
WGK Germany | 3 |
PubChem CID | 76395 |
Molecular Weight | 286.32 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C) | 163 °C |
Molecular Weight | 286.300 g/mol |
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XLogP3 | 4.800 |
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Hydrogen Bond Donor Count | 0 |
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Hydrogen Bond Acceptor Count | 2 |
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Rotatable Bond Count | 4 |
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Exact Mass | 286.099 Da |
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Monoisotopic Mass | 286.099 Da |
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Topological Polar Surface Area | 34.100 Ų |
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Heavy Atom Count | 22 |
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Formal Charge | 0 |
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Complexity | 343.000 |
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Isotope Atom Count | 0 |
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Defined Atom Stereocenter Count | 0 |
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Undefined Atom Stereocenter Count | 0 |
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Defined Bond Stereocenter Count | 0 |
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Undefined Bond Stereocenter Count | 0 |
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The total count of all stereochemical bonds | 0 |
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Covalently-Bonded Unit Count | 1 |
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