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Bicyclo[2.2.2]oct-5-ene-2,3-dicarboxylic Anhydride - >98.0%(GC), high purity , CAS No.6708-37-8

COA

Grade & Purity:

≥98%(GC)

Cas Number: 6708-37-8
Molecular Weight: 178.19
Beilstein Registry Number: 17(5)11,200
PubChem CID: 220977
PubChem SID: 488188675

In stock

Item Number

B151970

Grouped product items
SKU	Size	Availability	Price
B151970-250mg	250mg	4	$17.90
B151970-1g	1g	5	$52.90
B151970-5g	5g	1	$203.90

View related series

Carbonyl compound (2335) Carboxylic anhydride (130)

Basic Description

Synonyms	4,7-Ethanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-, (3a.alpha.,4.alpha.,7.alpha.,7a.alpha.)- \| 4,7-Ethanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro- \| 4-oxatricyclo[5.2.2.0,2,6]undec-8-ene-3,5-dione \| Bicyclo[2.2.2]-5-octene-2,3-dicarboxylic anhy
Specifications & Purity	≥98%(GC)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Dicarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Dicarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Dicarboxylic acids and derivatives
Alternative Parents	Tetrahydrofurans Carboxylic acid anhydrides Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Dicarboxylic acid or derivatives - Tetrahydrofuran - Carboxylic acid anhydride - Lactone - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	488188675
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488188675
IUPAC Name	4-oxatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
INCHI	InChI=1S/C10H10O3/c11-9-7-5-1-2-6(4-3-5)8(7)10(12)13-9/h1-2,5-8H,3-4H2
InChIKey	YIHKILSPWGDWPR-UHFFFAOYSA-N
Smiles	C1CC2C=CC1C3C2C(=O)OC3=O
Isomeric SMILES	C1CC2C=CC1C3C2C(=O)OC3=O
Molecular Weight	178.19
Beilstein	17(5)11,200
Reaxy-Rn	163987
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=163987&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.

3 results found

Lot Number	Certificate Type	Date	Item
K2313074	Certificate of Analysis	Nov 20, 2023	B151970
C2315980	Certificate of Analysis	May 13, 2023	B151970
C2315979	Certificate of Analysis	Mar 29, 2023	B151970

Chemical and Physical Properties

Solubility	Soluble in Acetone
Sensitivity	Moisture Sensitive
Melt Point(°C)	146-147℃
Molecular Weight	178.180 g/mol
XLogP3	1.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	178.063 Da
Monoisotopic Mass	178.063 Da
Topological Polar Surface Area	43.400 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	288.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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