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Basic Description
| Synonyms | 4534-73-0 | [3,3'-Bifuran]-2,2',5,5'-tetrone, tetrahydro- | 3-(2,5-dioxooxolan-3-yl)oxolane-2,5-dione | 1,2,3,4-Butanetetracarboxylic dianhydride | tetrahydro-[3,3'-bifuran]-2,2',5,5'-tetraone | 1,2,3,4-Butanetetracarboxylicdianhydride (BDA) | [3,3'-Bifuran]-2,2',5,5 |
|---|---|
| Storage Temp | Room temperature |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
- Superclass Organic acids and derivatives
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Tetracarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Tetracarboxylic acids and derivatives |
| Alternative Parents | Tetrahydrofurans Carboxylic acid anhydrides Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Tetracarboxylic acid or derivatives - Tetrahydrofuran - Carboxylic acid anhydride - Lactone - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups. |
| External Descriptors | Not available |
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Names and Identifiers
| IUPAC Name | 3-(2,5-dioxooxolan-3-yl)oxolane-2,5-dione |
|---|---|
| INCHI | InChI=1S/C8H6O6/c9-5-1-3(7(11)13-5)4-2-6(10)14-8(4)12/h3-4H,1-2H2 |
| InChIKey | OLQWMCSSZKNOLQ-UHFFFAOYSA-N |
| Smiles | C1C(C(=O)OC1=O)C2CC(=O)OC2=O |
| Isomeric SMILES | C1C(C(=O)OC1=O)C2CC(=O)OC2=O |
| Molecular Weight | 198.13 |
| Reaxy-Rn | 86037 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=86037&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Solubility | Insuluble (3.2E-3 g/L) (25 ºC) |
|---|---|
| Flash Point(°C) | 228.5°C |
| Boil Point(°C) | 492.0±45.0 °C |
| Melt Point(°C) | 242-243.5℃ |
| Molecular Weight | 198.130 g/mol |
| XLogP3 | -1.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 1 |
| Exact Mass | 198.016 Da |
| Monoisotopic Mass | 198.016 Da |
| Topological Polar Surface Area | 86.700 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 310.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| 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
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