1-[3-(2,5-dioxopyrrol-1-yl)benzoyl]oxy-2,5-dioxopyrrolidine-3-sulfonic acid|92921-25-0,AngeneChemical

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Pyrimidine, 5-bromo-2-methyl-

1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide

2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-

O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]

Tris(dibenzylideneacetone)dipalladium

C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C

Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

1-[3-(2,5-dioxopyrrol-1-yl)benzoyl]oxy-2,5-dioxopyrrolidine-3-sulfonic acid

O=C(c1cccc(c1)N1C(=O)C=CC1=O)ON1C(=O)CC(C1=O)S(=O)(=O)O

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Chemical Name:	1-[3-(2,5-dioxopyrrol-1-yl)benzoyl]oxy-2,5-dioxopyrrolidine-3-sulfonic acid
CAS Number:	92921-25-0
Product Number:	AG00GV75(AGN-PC-0JLP07)
Synonyms:
MDL No:
Molecular Formula:	C15H10N2O9S
Molecular Weight:	394.3129

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Identification/Properties

Computed Properties

Molecular Weight:

394.31g/mol

XLogP3:

-0.4

Hydrogen Bond Donor Count:

Hydrogen Bond Acceptor Count:

Rotatable Bond Count:

Exact Mass:

394.011g/mol

Monoisotopic Mass:

394.011g/mol

Topological Polar Surface Area:

164A^2

Heavy Atom Count:

Formal Charge:

Complexity:

839

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

Safety Information

NMR Spectrum

Other Analytical Data

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Chemical Structure

Benzoic acid, 3-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-, 2,5-dioxo-3-sulfo-1-pyrrolidinyl ester, sodium salt (1:1) is a versatile compound that finds significant utility in chemical synthesis processes. This compound is commonly employed as a key reagent in the production of various pharmaceuticals, agrochemicals, and specialty chemicals. Its unique chemical structure allows it to participate in diverse synthetic reactions, enabling the introduction of functional groups and stereochemistry in target molecules. Additionally, its water-soluble nature as a sodium salt enhances its compatibility in aqueous reaction systems, facilitating its use in a wide range of synthetic methodologies.