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Maleimide

CAT: 0024-sc-257686Size: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-257686Size:5 g
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CAS Number
541-59-3

Chemical Information

Maleimide

Maleimide is a cyclic dicarboximide in which the two carboacyl groups on nitrogen together with the nitogen itself form a 1H-pyrrole-2,5-dione structure. It has a role as an EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor. It is a dicarboximide and a member of maleimides. It is functionally related to a maleic acid. It derives from a hydride of a 1H-pyrrole.

CAS Number541-59-3
PubChem CID10935
IUPAC Namepyrrole-2,5-dione
Molecular FormulaC4H3NO2
Molecular Weight97.07
XLogP-0.3
Topological Polar Surface Area46.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity132
SMILES
C1=CC(=O)NC1=O
InChI
InChI=1S/C4H3NO2/c6-3-1-2-4(7)5-3/h1-2H,(H,5,6,7)
InChIKey
PEEHTFAAVSWFBL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Maleimide
CAS: 541-59-3
CID: 10935
Formula: C4H3NO2
MW: 97.07
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight97.07
XLogP3-0.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass97.016378338
Monoisotopic Mass97.016378338
Topological Polar Surface Area46.2 Ų
Heavy Atom Count7
Formal Charge0
Complexity132
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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