1H-Pyrrole-2,5-dion...

1H-Pyrrole-2,5-dione,1-(2,4,6-trimethylphenyl)-(CAS No. 55862-98-1)

1H-Pyrrole-2,5-dione,1-(2,4,6-trimethylphenyl)-(CAS No. 55862-98-1)

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1H-Pyrrole-2,5-dione,1-(2,4,6-trimethylphenyl)- 55862-98-1 98%

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  • Appearance:Solid
  • Application:Organic Chemicals
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Details:

【Name】
1H-Pyrrole-2,5-dione,1-(2,4,6-trimethylphenyl)-
【Iupac name】
1-(2,4,6-trimethylphenyl)pyrrole-2,5-dione
【CAS Registry number】
55862-98-1
【Synonyms】
N-(2,4,6-Trimethylphenyl)maleimide
N-Mesityl maleimide
NSC 201664
【Molecular Formula】
C13H13 N O2 (Products with the same molecular formula)
【Molecular Weight】
215.2478
【Inchi】
InChI=1/C13H13NO2/c1-8-6-9(2)13(10(3)7-8)14-11(15)4-5-12(14)16/h4-7H,1-3H3
【Canonical SMILES】
CC1=CC(=C(C(=C1)C)N2C(=O)C=CC2=O)C
【MOL File】
55862-98-1.mol
Chemical and Physical Properties
【Density】
1.201g/cm3
【Boiling Point】
353°C at 760 mmHg
【Refractive Index】
1.594
【Flash Point】
156.1°C
【Computed Properties】
Molecular Weight:215.24782 [g/mol]
Molecular Formula:C13H13NO2
XLogP3-AA:2.1
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:1
Exact Mass:215.094629
MonoIsotopic Mass:215.094629
Topological Polar Surface Area:37.4
Heavy Atom Count:16
Formal Charge:0
Complexity:318
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Ring Count:2
Effective Rotor Count:1.2
Conformer Sampling RMSD:0.6
CID Conformer Count:2

 

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