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6028-92-8

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Basic Information
CAS No.: 6028-92-8
Name: 1-(4-NITROPHENYL)-3-(2-THIENYL)-PROP-2-EN-1-ONE
Article Data: 6
Molecular Structure:
Molecular Structure of 6028-92-8 (1-(4-NITROPHENYL)-3-(2-THIENYL)-PROP-2-EN-1-ONE)
Formula: C13H9NO3S
Molecular Weight: 259.285
Synonyms: Acrylophenone,4'-nitro-3-(2-thienyl)- (6CI,7CI,8CI);NSC 657760;2'-Thienylidene-4-nitroacetophenone;1-(4-Nitrophenyl)-3-(thiophen-2-yl)prop-2-en-1-one;1-(4-nitro-phenyl)-3-thiophen-2-yl-propenone;
Density: 1.356 g/cm3
Melting Point: 168-170 °C
Boiling Point: 452.7 °C at 760 mmHg
Flash Point: 227.6 °C
PSA: 91.13000
LogP: 4.07560
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Specification

The 2-Propen-1-one,1-(4-nitrophenyl)-3-(2-thienyl)-, with the CAS registry number 6028-92-8, is also known as 2'-Thienylidene-4-nitroacetophenone. This chemical's molecular formula is C13H9NO3S and molecular weight is 259.28. What's more, its systematic name is 1-(4-Nitrophenyl)-3-(thiophen-2-yl)prop-2-en-1-one. 

Physical properties of 2-Propen-1-one,1-(4-nitrophenyl)-3-(2-thienyl)- are: (1)ACD/LogP: 3.79; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 91.13 Å2; (7)Index of Refraction: 1.677; (8)Molar Refractivity: 72.03 cm3; (9)Molar Volume: 191.1 cm3; (10)Polarizability: 28.55×10-24 cm3; (11)Surface Tension: 58.9 dyne/cm; (12)Density: 1.356 g/cm3; (13)Flash Point: 227.6 °C; (14)Enthalpy of Vaporization: 71.2 kJ/mol; (15)Boiling Point: 452.7 °C at 760 mmHg; (16)Vapour Pressure: 2.19E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C=Cc1sccc1)c2ccc([N+]([O-])=O)cc2
(2)InChI: InChI=1S/C13H9NO3S/c15-13(8-7-12-2-1-9-18-12)10-3-5-11(6-4-10)14(16)17/h1-9H
(3)InChIKey: QZLINQZBUKTXIZ-UHFFFAOYSA-N