2-Ethyl-3-methylmaleimide - CAS 20189-42-8

Catalog:	BB015702
Product Name:	2-Ethyl-3-methylmaleimide
CAS:	20189-42-8
Synonyms:	3-ethyl-4-methylpyrrole-2,5-dione; 3-ethyl-4-methylpyrrole-2,5-dione

Technical Data

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Computed Properties

IUPAC Name:	3-ethyl-4-methylpyrrole-2,5-dione
Description:	3-Ethyl-4-methylpyrrole-2,5-dione (CAS# 20189-42-8 ) is a useful research chemical.
Molecular Weight:	139.15
Molecular Formula:	C7H9NO2
Canonical SMILES:	CCC1=C(C(=O)NC1=O)C
InChI:	InChI=1S/C7H9NO2/c1-3-5-4(2)6(9)8-7(5)10/h3H2,1-2H3,(H,8,9,10)
InChI Key:	CUBICSJJYOPOIA-UHFFFAOYSA-N
Boiling Point:	253.8 °C at 760 mmHg
Purity:	98.0%
Density:	1.116 g/cm³
LogP:	0.69810

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PMID	Publication Date	Title	Journal
17624890	20071101	Studies on the aroma of maté (Ilex paraguariensis St. Hil.) using headspace solid-phase microextraction	Phytochemical analysis : PCA
16910120	20060701	Isolation and identification of antialgal compounds from the leaves of Vallisneria spiralis L. by activity-guided fractionation	Environmental science and pollution research international
12400681	20020901	2-Ethyl-3-methylmaleimide in Tokyo Bay sediments providing the first evidence for its formation from chlorophylls in the present photic and oxygenic zone	Bioscience, biotechnology, and biochemistry

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Complexity:	228
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	139.06332853
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	139.06332853
Rotatable Bond Count:	1
Topological Polar Surface Area:	46.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5