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1081-17-0

Basic Information
CAS No.: 1081-17-0
Name: 1-(4-METHOXY-PHENYL)-PYRROLE-2,5-DIONE
Article Data: 61
Molecular Structure:
Molecular Structure of 1081-17-0 (1-(4-METHOXY-PHENYL)-PYRROLE-2,5-DIONE)
Formula: C11H9NO3
Molecular Weight: 203.197
Synonyms: N-p-Anisylmaleimide;NSC 39727;N-(4-Methoxyphenyl)maleimide;N-(p-Methoxyphenyl)maleimide;Maleimide,N-(p-methoxyphenyl)- (6CI,7CI,8CI);
Density: 1.317 g/cm3
Melting Point: 145-146 °C
Boiling Point: 361.2 °C at 760 mmHg
Flash Point: 172.3 °C
Hazard Symbols: IrritantXi
PSA: 46.61000
LogP: 1.18960
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  • 1H-Pyrrole-2,5-dione,1-(4-methoxyphenyl)-  CAS NO.1081-17-0

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Specification

This chemical is called 1H-Pyrrole-2,5-dione,1-(4-methoxyphenyl)-, and its systematic name is 1-(4-Methoxyphenyl)-1H-pyrrole-2,5-dione. With the molecular formula of C11H9NO3, its molecular weight is 203.19. The CAS registry number of the chemical is 1081-17-0. 

Other characteristics of 1H-Pyrrole-2,5-dione,1-(4-methoxyphenyl)- can be summarised as followings: (1)ACD/LogP: 1.01; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 46.61 Å2; (7)Index of Refraction: 1.603; (8)Molar Refractivity: 53 cm3; (9)Molar Volume: 154.2 cm3; (10)Polarizability: 21.01×10-24cm3; (11)Surface Tension: 53.5 dyne/cm; (12)Density: 1.317 g/cm3; (13)Flash Point: 172.3 °C; (14)Enthalpy of Vaporization: 60.7 kJ/mol; (15)Boiling Point: 361.2 °C at 760 mmHg; (16)Vapour Pressure: 2.1E-05 mmHg at 25°C.

Uses of this chemical: The 1H-Pyrrole-2,5-dione,1-(4-methoxyphenyl)- could react with Pyrrolidine to obtain the 1'-(4-Methoxy-phenyl)-[1,3']bipyrrolidinyl-2',5'-dione. This reaction needs the solvent of Benzene. The yield is 63 %. In addition, this reaction should be taken at the ambient temperature.

The 1H-Pyrrole-2,5-dione,1-(4-methoxyphenyl)- could react with Pyrrolidine to obtain the 1'-(4-Methoxy-phenyl)-[1,3']bipyrrolidinyl-2',5'-dione

You can still convert the following datas into molecular structure:
1.SMILES: O=C2\C=C/C(=O)N2c1ccc(OC)cc1
2.InChI: InChI=1/C11H9NO3/c1-15-9-4-2-8(3-5-9)12-10(13)6-7-11(12)14/h2-7H,1H3
3.InChIKey: XAHCEMQKWSQGLQ-UHFFFAOYAK
4.Std. InChI: InChI=1S/C11H9NO3/c1-15-9-4-2-8(3-5-9)12-10(13)6-7-11(12)14/h2-7H,1H3
5.Std. InChIKey: XAHCEMQKWSQGLQ-UHFFFAOYSA-N