Record Information |
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Version | 2.0 |
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Creation Date | 2012-05-31 14:25:25 -0600 |
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Update Date | 2015-09-17 16:24:17 -0600 |
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Secondary Accession Numbers | |
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Identification |
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Name: | 2,5-Dichloro-carboxymethylenebut-2-en-4-olide |
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Description | 2,5-dichloro-carboxymethylenebut-2-en-4-olide belongs to the class of Aryl Chlorides. These are organic compounds containing the acyl chloride functional group. (inferred from compound structure) |
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Structure | |
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Synonyms: | - (2E)-2-chloro-2-(4-chloro-5-Oxofuran-2-ylidene)acetate
- (2E)-2-chloro-2-(4-chloro-5-oxofuran-2-ylidene)acetic acid
- (2E)-chloro(4-chloro-5-oxo-2(5H)-Furanylidene)acetate
- (2E)-Chloro(4-chloro-5-oxo-2(5H)-furanylidene)acetic acid
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Chemical Formula: | C6H2Cl2O4 |
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Weight: | Average: 208.984 Monoisotopic: 207.933013966 |
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InChI Key: | XJQKWSUIZRECMR-UHFFFAOYSA-N |
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InChI: | InChI=1S/C6H2Cl2O4/c7-2-1-3(12-6(2)11)4(8)5(9)10/h1H,(H,9,10) |
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CAS number: | Not Available |
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IUPAC Name: | 2-chloro-2-[(2E)-4-chloro-5-oxo-2,5-dihydrofuran-2-ylidene]acetic acid |
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Traditional IUPAC Name: | C6H2cl2O4 |
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SMILES: | OC(=O)C(Cl)=C1OC(=O)C(Cl)=C1 |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as butenolides. These are dihydrofurans with a carbonyl group at the C2 carbon atom. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Dihydrofurans |
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Sub Class | Furanones |
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Direct Parent | Butenolides |
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Alternative Parents | |
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Substituents | - 2-furanone
- Dicarboxylic acid or derivatives
- Alpha-halocarboxylic acid
- Alpha-halocarboxylic acid or derivatives
- Enol ester
- Alpha,beta-unsaturated carboxylic ester
- Enoate ester
- Carboxylic acid ester
- Lactone
- Carboxylic acid derivative
- Oxacycle
- Carboxylic acid
- Chloroalkene
- Haloalkene
- Vinyl halide
- Vinyl chloride
- Organic oxide
- Hydrocarbon derivative
- Carbonyl group
- Organohalogen compound
- Organochloride
- Organooxygen compound
- Organic oxygen compound
- Aliphatic heteromonocyclic compound
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Molecular Framework | Aliphatic heteromonocyclic compounds |
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External Descriptors | |
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Physical Properties |
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State: | Not Available |
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Charge: | -1 |
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Melting point: | Not Available |
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Experimental Properties: | |
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Predicted Properties | |
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Biological Properties |
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Cellular Locations: | Cytoplasm |
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Reactions: | |
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SMPDB Pathways: | Not Available |
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KEGG Pathways: | - Microbial metabolism in diverse environments ec01120
- gamma-Hexachlorocyclohexane degradation ec00361
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EcoCyc Pathways: | Not Available |
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Concentrations |
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| Not Available |
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Spectra |
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Spectra: | |
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References |
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References: | - Kanehisa, M., Goto, S., Sato, Y., Furumichi, M., Tanabe, M. (2012). "KEGG for integration and interpretation of large-scale molecular data sets." Nucleic Acids Res 40:D109-D114. Pubmed: 22080510
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Synthesis Reference: | Not Available |
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Material Safety Data Sheet (MSDS) | Not Available |
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Links |
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External Links: | Resource | Link |
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CHEBI ID | 31075 | HMDB ID | Not Available | Pubchem Compound ID | 11954007 | Kegg ID | C12834 | ChemSpider ID | 10128302 | Wikipedia ID | Not Available | BioCyc ID | Not Available |
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