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Basic Description
| Specifications & Purity | ≥95% |
|---|---|
| Storage Temp | Store at -20°C,Argon charged |
| Shipped In |
Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic oxygen compounds
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Class
Organooxygen compounds
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Subclass
Carbonyl compounds
- Level5 Ketones
- Level6 Aryl ketones
- Level7 Phenylketones
- Level8 Alkyl-phenylketones
- Level7 Phenylketones
- Level6 Aryl ketones
- Level5 Ketones
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Subclass
Carbonyl compounds
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Class
Organooxygen compounds
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Superclass
Organic oxygen compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Alkyl-phenylketones |
| Alternative Parents | Acylphloroglucinols and derivatives Acetophenones Benzoyl derivatives Aryl alkyl ketones Vinylogous acids Polyols Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alkyl-phenylketone - Acylphloroglucinol derivative - Phloroglucinol derivative - Benzenetriol - Acetophenone - Aryl alkyl ketone - Benzoyl - Phenol - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Polyol - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. |
| External Descriptors | Not available |
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Names and Identifiers
| IUPAC Name | 1-(3,5-diacetyl-2,4,6-trihydroxyphenyl)ethanone |
|---|---|
| INCHI | InChI=1S/C12H12O6/c1-4(13)7-10(16)8(5(2)14)12(18)9(6(3)15)11(7)17/h16-18H,1-3H3 |
| InChIKey | YOQHLDOEJYEQRA-UHFFFAOYSA-N |
| Smiles | CC(=O)C1=C(C(=C(C(=C1O)C(=O)C)O)C(=O)C)O |
| Isomeric SMILES | CC(=O)C1=C(C(=C(C(=C1O)C(=O)C)O)C(=O)C)O |
| PubChem CID | 824901 |
| Molecular Weight | 252.22 |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 D2428562 |
Certificate of Analysis | Apr 18, 2024 | T330657 |
| D2428563 |
Certificate of Analysis | Apr 18, 2024 | T330657 |
| D2428564 |
Certificate of Analysis | Apr 18, 2024 | T330657 |
| D2428565 |
Certificate of Analysis | Apr 18, 2024 | T330657 |
| D2428566 |
Certificate of Analysis | Apr 18, 2024 | T330657 |
| D2428569 |
Certificate of Analysis | Apr 18, 2024 | T330657 |
Chemical and Physical Properties
| Solubility | Soluble in Ethanol, Methanol and Toluene |
|---|---|
| Melt Point(°C) | 145-147° C |
| Molecular Weight | 252.220 g/mol |
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 252.063 Da |
| Monoisotopic Mass | 252.063 Da |
| Topological Polar Surface Area | 112.000 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 302.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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