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CAS No.: | 2910-81-8 |
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Name: | (E)-1-PHENYL-3-(2-THIENYL)-2-PROPEN-1-ONE |
Article Data: | 45 |
Molecular Structure: | |
Formula: | C13H10OS |
Molecular Weight: | 214.288 |
Synonyms: | 3-(2-Thienyl)acrylophenone;NSC 110936;Acrylophenone,3-(2-thienyl)- (6CI,7CI,8CI);1-Phenyl-3-(thiophen-2-yl)propenone; |
Density: | 1.195 g/cm3 |
Melting Point: | 59 °C |
Boiling Point: | 355.2 °C at 760 mmHg |
Flash Point: | 168.6 °C |
PSA: | 45.31000 |
LogP: | 3.64420 |
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The 2-Propen-1-one,1-phenyl-3-(2-thienyl)-, with the CAS registry number 2910-81-8, is also known as 3-(2-Thienyl)acrylophenone. This chemical's molecular formula is C13H10OS and molecular weight is 214.28. What's more, its systematic name is (2E)-1-Phenyl-3-thiophen-2-ylprop-2-en-1-one.
Physical properties of 2-Propen-1-one,1-phenyl-3-(2-thienyl)- are: (1)ACD/LogP: 3.83; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 45.31 Å2; (7)Index of Refraction: 1.651; (8)Molar Refractivity: 65.49 cm3; (9)Molar Volume: 179.3 cm3; (10)Polarizability: 25.96×10-24 cm3; (11)Surface Tension: 48.8 dyne/cm; (12)Density: 1.195 g/cm3; (13)Flash Point: 168.6 °C; (14)Enthalpy of Vaporization: 60.04 kJ/mol; (15)Boiling Point: 355.2 °C at 760 mmHg; (16)Vapour Pressure: 3.17E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(\C=C\c1sccc1)c2ccccc2
(2)InChI: InChI=1S/C13H10OS/c14-13(11-5-2-1-3-6-11)9-8-12-7-4-10-15-12/h1-10H/b9-8+
(3)InChIKey: VLDDOTFTMZJIEM-CMDGGOBGSA-N