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CAS No.: | 65833-09-2 |
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Name: | 1-(3,5-DIMETHYL-PHENYL)-PYRROLE-2,5-DIONE |
Molecular Structure: | |
Formula: | C12H11NO2 |
Molecular Weight: | 201.2212 |
Synonyms: | 1H-Pyrrole-2,5-dione, 1-(3,5-dimethylphenyl)-; |
Density: | 1.235 g/cm3 |
Boiling Point: | 359.7 °C at 760 mmHg |
Flash Point: | 166.4 °C |
PSA: | 37.38000 |
LogP: | 1.79780 |
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The 1H-Pyrrole-2,5-dione,1-(3,5-dimethylphenyl)-, with the CAS registry number 65833-09-2, is also known as 1H-Pyrrole-2,5-dione, 1-(3,5-dimethylphenyl)-. This chemical's molecular formula is C12H11NO2 and molecular weight is 201.2212. What's more, its systematic name is called 1-(3,5-Dimethylphenyl)-1H-pyrrole-2,5-dione.
Physical properties about 1H-Pyrrole-2,5-dione,1-(3,5-dimethylphenyl)- are: (1)ACD/LogP: 2.01; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 37.38Å2; (7)Index of Refraction: 1.603; (8)Molar Refractivity: 55.97 cm3; (9)Molar Volume: 162.8 cm3; (10)Polarizability: 22.18×10-24 cm3; (11)Surface Tension: 51 dyne/cm; (12)Density: 1.235 g/cm3; (13)Flash Point: 166.4 °C; (14)Enthalpy of Vaporization: 60.53 kJ/mol; (15)Boiling Point: 359.7 °C at 760 mmHg; (16)Vapour Pressure: 2.34E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C2\C=C/C(=O)N2c1cc(cc(c1)C)C
(2) InChI: InChI=1/C12H11NO2/c1-8-5-9(2)7-10(6-8)13-11(14)3-4-12(13)15/h3-7H,1-2H3
(3) InChIKey: PECLZIRCLUPWGS-UHFFFAOYAB