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CAS No.: | 40783-24-2 |
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Name: | 1-(2,5-DIMETHOXY-PHENYL)-PYRROLE-2,5-DIONE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C12H11NO4 |
Molecular Weight: | 233.224 |
Synonyms: | Pyrrole-2,5-dione, 1-(2,5-dimethoxyphenyl)-; |
Density: | 1.308 g/cm3 |
Boiling Point: | 1.308 g/cm3 |
Flash Point: | 198 °C |
PSA: | 55.84000 |
LogP: | 1.19820 |
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The 1H-Pyrrole-2,5-dione,1-(2,5-dimethoxyphenyl)-, with the CAS registry number 40783-24-2, is also known as Pyrrole-2,5-dione, 1-(2,5-dimethoxyphenyl)-. This chemical's molecular formula is C12H11NO4 and molecular weight is 233.22. What's more, its systematic name is called 1-(2,5-Dimethoxyphenyl)-1H-pyrrole-2,5-dione.
Physical properties about 1H-Pyrrole-2,5-dione,1-(2,5-dimethoxyphenyl)- are: (1)ACD/LogP: 0.97; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.97; (4)ACD/LogD (pH 7.4): 0.97; (5)ACD/BCF (pH 5.5): 3.22; (6)ACD/BCF (pH 7.4): 3.22; (7)ACD/KOC (pH 5.5): 80.37; (8)ACD/KOC (pH 7.4): 80.37; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 59.67 cm3; (15)Molar Volume: 178.2 cm3; (16)Polarizability: 23.65×10-24 cm3; (17)Surface Tension: 50.7 dyne/cm; (18)Density: 1.308 g/cm3; (19)Flash Point: 198 °C; (20)Enthalpy of Vaporization: 65.52 kJ/mol; (21)Boiling Point: 1.308 g/cm3; (22)Vapour Pressure: 9.87E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C2\C=C/C(=O)N2c1c(OC)ccc(OC)c1
(2) InChI: InChI=1/C12H11NO4/c1-16-8-3-4-10(17-2)9(7-8)13-11(14)5-6-12(13)15/h3-7H,1-2H3
(3) InChIKey: FKTMIANXGGJMNY-UHFFFAOYAD