5-(2,5-Dioxotetrahydrofuryl)-3-methyl-3-cyclohexene-1,2-dicarboxylic anhydride

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Product Information

Molecular Formula:
C13H12O6
Molecular Weight:
264.23
Description
5-(2,5-Dioxotetrahydrofuryl)-3-methyl-3-cyclohexene-1,2-dicarboxylic anhydride is an extraordinary and intricate compound and boasts immense versatility within the biomedical sector. This paramount substance assumes a pivotal function in the amalgamation of pharmaceutical medications intended to combat distinct pathologies. Capitalizing on its exceptional structure, this anhydride serves as a catalyst for groundbreaking drugs targeting afflictions ranging from malignant neoplasms to inflammatory conditions, and even neurological maladies.
Synonyms
5-(2,5-Dioxotetrahydrofuryl)-3-methyl-3-cyclohexene-1,2-dicarboxylic anhydride; 5-(2,5-Dioxotetrahydrol)-3-methyl-3-cyclohexene-1,2-dicarboxylic acid; Epiclon® * B-4400
IUPAC Name
5-(2,5-dioxooxolan-3-yl)-7-methyl-3a,4,5,7a-tetrahydro-2-benzofuran-1,3-dione
Canonical SMILES
CC1=CC(CC2C1C(=O)OC2=O)C3CC(=O)OC3=O
InChI
InChI=1S/C13H12O6/c1-5-2-6(7-4-9(14)18-11(7)15)3-8-10(5)13(17)19-12(8)16/h2,6-8,10H,3-4H2,1H3
InChI Key
DGQOZCNCJKEVOA-UHFFFAOYSA-N
Boiling Point
510.8±50.0 °C(Predicted)
Melting Point
172°C
Purity
>95.0%(T)
Density
1.448±0.06 g/cm3(Predicted)
Appearance
White to Orange to Green powder to crystal

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
-0.1
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
1
Exact Mass
264.06338810 g/mol
Monoisotopic Mass
264.06338810 g/mol
Topological Polar Surface Area
86.7Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
531
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
4
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
CN-114057992-A Resin composition for carbon fiber molding 2021-11-02
CN-113061340-A Display device, polyimide precursor composition, polyimide film, and laminate 2021-06-04
CN-113061340-B Display device, polyimide precursor composition, polyimide film, and laminate 2021-06-04
JP-2021059117-A Primer composition and aqueous solution using it, base film with primer layer and prism sheet 2021-01-04
CN-114126226-A Method for manufacturing printed wiring board 2020-08-28
JP-2022037677-A A transparent neutron shielding material with excellent radiation resistance and a radiation protection system using it 2020-08-25
JP-2022037678-A Transparent gamma-ray / X-ray and neutron shared shielding material 2020-08-25
CN-114085516-A Resin composition 2020-08-24
CN-114085606-A Resin composition 2020-08-24
WO-2022039573-A1 Composition comprising polyimide or precursor thereof, cured product thereof, polyimide film comprising cured product, laminate provided with polyimide film, and device provided with laminate 2020-08-21
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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