1,4-Diacetylbenzene - CAS 1009-61-6
Catalog: |
BB000405 |
Product Name: |
1,4-Diacetylbenzene |
CAS: |
1009-61-6 |
Synonyms: |
1-(4-acetylphenyl)ethanone |
IUPAC Name: | 1-(4-acetylphenyl)ethanone |
Description: | 1,4-Diacetylbenzene (CAS# 1009-61-6) is also capable of Suzuki-Miyaura coupling. |
Molecular Weight: | 162.19 |
Molecular Formula: | C10H10O2 |
Canonical SMILES: | CC(=O)C1=CC=C(C=C1)C(=O)C |
InChI: | InChI=1S/C10H10O2/c1-7(11)9-3-5-10(6-4-9)8(2)12/h3-6H,1-2H3 |
InChI Key: | SKBBQSLSGRSQAJ-UHFFFAOYSA-N |
Boiling Point: | 300.1 °C at 760 mmHg |
Melting Point: | 111-113 °C (lit.) |
Purity: | 95 % |
Density: | 1.063 g/cm3 |
Appearance: | Almost white to light brown crystalline powder |
MDL: | MFCD00008750 |
LogP: | 2.09180 |
Vapor Pressure: | 0.00723 [mmHg] |
Publication Number | Title | Priority Date |
CN-113461912-A | Polycyclic aromatic skeleton polymers, process for their preparation and their use | 20210528 |
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PMID | Publication Date | Title | Journal |
20849088 | 20101018 | Highly luminescent and triboluminescent coordination polymers assembled from lanthanide β-diketonates and aromatic bidentate O-donor ligands | Inorganic chemistry |
11738625 | 20020101 | New chemical and biological aspects of artemisinin-derived trioxane dimers | Bioorganic & medicinal chemistry |
Complexity: | 166 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 162.068079557 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 162.068079557 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 34.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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