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Basic Description
| Synonyms | 1-(2,3-Dihydro-1,4-benzodioxin-2-yl)ethan-1-one | 2-acetylbenzodioxane | STK835309 | EN300-1850837 | MB01186 | UNII-G7TKT32H5K | SCHEMBL407262 | 1-(2,3-Dihydro-benzo[1,4]dioxin-2-yl)-ethanone | EINECS 213-783-0 | MFCD00457680 | 1869922-68-8 | 5-(5-Chloros |
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| Storage Temp | Room temperature |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Benzodioxanes
- Subclass Benzo-1,4-dioxanes
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Class
Benzodioxanes
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Superclass
Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzodioxanes |
| Subclass | Benzo-1,4-dioxanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzo-1,4-dioxanes |
| Alternative Parents | Alkyl aryl ethers Para dioxins Benzenoids Ketones Oxacyclic compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzo-1,4-dioxane - Alkyl aryl ether - Benzenoid - Para-dioxin - Ketone - Oxacycle - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzo-1,4-dioxanes. These are heterocyclic compounds containing a benzene ring fused to a 1,4-dioxane ring. |
| External Descriptors | Not available |
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Names and Identifiers
| IUPAC Name | 1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanone |
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| INCHI | InChI=1S/C10H10O3/c1-7(11)10-6-12-8-4-2-3-5-9(8)13-10/h2-5,10H,6H2,1H3 |
| InChIKey | KVCWAZWJLMNADA-UHFFFAOYSA-N |
| Smiles | CC(=O)C1COC2=CC=CC=C2O1 |
| Isomeric SMILES | CC(=O)C1COC2=CC=CC=C2O1 |
| Molecular Weight | 178.18 |
| Reaxy-Rn | 1244008 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1244008&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Molecular Weight | 178.180 g/mol |
|---|---|
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 178.063 Da |
| Monoisotopic Mass | 178.063 Da |
| Topological Polar Surface Area | 35.500 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 202.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Solution Calculators
Reviews
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