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Basic Description
| Synonyms | F0001-1313 | Hydroresorcinol | NSC57477 | NSC-57477 | EC 207-980-0 | 6UK3D2BXJT | STL145900 | UNII-6UK3D2BXJT | BDBM22770 | AM20070493 | DTXCID9024433 | EINECS 207-980-0 | Tox21_302158 | cyclohexan- 1,3-dione | AI3-11062 | PB42931 | AKOS000119320 | cycloh |
|---|---|
| Specifications & Purity | ≥97% |
| Storage Temp | Store at 2-8°C,Argon charged |
| Shipped In |
Wet ice 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 1,3-dicarbonyl compounds
- Level6 Beta-diketones
- Level5 1,3-dicarbonyl compounds
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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 | 1,3-dicarbonyl compounds |
| Direct Parent | Beta-diketones |
| Alternative Parents | Cyclic ketones Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Substituents | 1,3-diketone - Cyclic ketone - Ketone - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as beta-diketones. These are organic compounds containing two keto groups separated by a single carbon atom. |
| External Descriptors | a carbohydrate |
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Associated Targets(Human)
ACHE
Tclin
Acetylcholinesterase (18204 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
BCHE
Tclin
Butyrylcholinesterase (7174 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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CES2
Tchem
Carboxylesterase 2 (583 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
CES1
Tchem
Acyl coenzyme A:cholesterol acyltransferase (1029 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
MCF7 (126967 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
| Pubchem Sid | 488181135 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488181135 |
| IUPAC Name | cyclohexane-1,3-dione |
| INCHI | InChI=1S/C6H8O2/c7-5-2-1-3-6(8)4-5/h1-4H2 |
| InChIKey | HJSLFCCWAKVHIW-UHFFFAOYSA-N |
| Smiles | C1CC(=O)CC(=O)C1 |
| Isomeric SMILES | C1CC(=O)CC(=O)C1 |
| WGK Germany | 3 |
| RTECS | GV0350000 |
| Molecular Weight | 112.13 |
| Beilstein | 385888 |
| Reaxy-Rn | 385888 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=385888&ln= |
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 |
|---|---|---|---|
 H2408319 |
Certificate of Analysis | Apr 02, 2024 | C106972 |
| G2425162 |
Certificate of Analysis | Apr 02, 2024 | C106972 |
| G2425163 |
Certificate of Analysis | Apr 02, 2024 | C106972 |
| F2314832 |
Certificate of Analysis | Jun 03, 2023 | C106972 |
| F2314917 |
Certificate of Analysis | Jun 03, 2023 | C106972 |
| F2314822 |
Certificate of Analysis | Jun 03, 2023 | C106972 |
| L2220151 |
Certificate of Analysis | Dec 27, 2022 | C106972 |
Chemical and Physical Properties
| Solubility | Soluble in water (155 g/L) at 20°C, alcohol, chloroform, acetone, boiling benzene, ether (slightly), carbon disulfide (slightly), and petr ether (slightly). |
|---|---|
| Sensitivity | Heat & Air & Light Sensitive |
| Melt Point(°C) | 101-105°C |
| Molecular Weight | 112.130 g/mol |
| XLogP3 | 0.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 112.052 Da |
| Monoisotopic Mass | 112.052 Da |
| Topological Polar Surface Area | 34.100 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 112.000 |
| 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 |
Documents & Articles
Aldol Condensation Reaction
Categories: Technical articles
Citations of This Product
Solution Calculators
Reviews
Customer Reviews
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