3-carbamoyl-2-cyano-3-(2,2-difluoro-1,3-benzodioxol-4-yl)oxirane-2-carboxylic acid (CHEM282115)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-08-27 22:13:43 UTC | ||||||||
| Update Date | 2026-08-27 22:13:43 UTC | ||||||||
| Accession Number | CHEM282115 | ||||||||
| Identification | |||||||||
| Common Name | 3-carbamoyl-2-cyano-3-(2,2-difluoro-1,3-benzodioxol-4-yl)oxirane-2-carboxylic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C12H6F2N2O6 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 312.019 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | Not Available | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | C1=CC(=C2C(=C1)OC(O2)(F)F)C3(C(O3)(C#N)C(=O)O)C(=O)N | ||||||||
| InChI Identifier | InChI=1S/C12H6F2N2O6/c13-12(14)20-6-3-1-2-5(7(6)21-12)11(8(16)17)10(4-15,22-11)9(18)19/h1-3H,(H2,16,17)(H,18,19) | ||||||||
| InChI Key | CIDOWFUMBJPVMD-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra | |||||||||
| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
