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Bicyclo[2.2.2]oCt-7-ene-2,3,5,6-tetracarboxylic acid dianhydride

Bicyclo[2.2.2]oCt-7-ene-2,3,5,6-tetracarboxylic acid dianhydride

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Molecular Formula:

C12H8O6

Molecular Weight:

248.19

CAS Number:

1719-83-1

Catalog Number:

1719-83-1

Product Information

Molecular Formula:

C12H8O6

Molecular Weight:

248.19

Description

Bicyclo[2.2.2]oCt-7-ene-2,3,5,6-tetracarboxylic acid dianhydride is an indispensable component in the realm of biomedical applications. Its intricate molecular structure engenders myriad possibilities for the synthesis of pharmaceutical entities with lucid implications towards combating diverse maladies, including malignancies, inflammatory conditions, and afflictions associated with neuronal degeneration. This multifaceted compound serves as a pivotal precursor, precipitating the advent of avant-garde therapeutic agents endowed with promising remedial prospects.

Synonyms

4,8-Etheno-1H,3H-benzo[1,2-c:4,5-c']difuran-1,3,5,7-tetrone, 3a,4,4a,7a,8,8a-hexahydro-; TIMTEC-BB SBB007762; BICYCLO(2.2.2)OCT-7-ENE-2,3,5,6-TETRACARBOXYLIC ACID DIANHYDRIDE; BICYCLO[2.2.2]OCT-7-ENE-2,3,5,6-TETRACARBOXYLIC DIANHYDRIDE; BICYCLO[2.2.2]OCT-7-E

IUPAC Name

4,10-dioxatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone

Canonical SMILES

C1=CC2C3C(C1C4C2C(=O)OC4=O)C(=O)OC3=O

InChI

InChI=1S/C12H8O6/c13-9-5-3-1-2-4(7(5)11(15)17-9)8-6(3)10(14)18-12(8)16/h1-8H

InChI Key

XLOGCGOPKPCECW-UHFFFAOYSA-N

Boiling Point

351.26°C (rough estimate)

Melting Point

>300 °C(lit.)

Purity

>98.0%(T)

Density

1.624 g/cm3

Appearance

White to Light yellow to Light orange powder to crystal

Refractive Index

1.6000 (estimate)

Safety Information

Hazards

H315:
Causes skin irritation.
H319:
Causes serious eye irritation.

Precautionary Statement

P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].

Computed Properties

XLogP3

-0.5

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

248.03208797 g/mol

Monoisotopic Mass

248.03208797 g/mol

Topological Polar Surface Area

86.7Å²

Heavy Atom Count

Formal Charge

Complexity

459

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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Concentration _(final)

Volume _(final)

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Bicyclo[2.2.2]oCt-7-ene-2,3,5,6-tetracarboxylic acid dianhydride

Product Information

Safety Information

Computed Properties

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