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99902-03-1

Basic Information
CAS No.: 99902-03-1
Name: 2-THIOPHEN-3-YL-BENZALDEHYDE
Article Data: 19
Cas Database
Molecular Structure:
Molecular Structure of 99902-03-1 (2-THIOPHEN-3-YL-BENZALDEHYDE)
Formula: C11H8OS
Molecular Weight: 188.25
Synonyms: AKOS BAR-0255;2-(3-THIENYL)BENZALDEHYDE;2-THIOPHEN-3-YL-BENZALDEHYDE;2-(Thien-3-yl)benzaldehyde
Density: 1.207 g/cm3
Boiling Point: 303.8 °C at 760 mmHg
Flash Point: 115.3 °C
Hazard Symbols: IrritantXi
PSA: 45.31000
LogP: 3.22760
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Specification

The 2-(Thien-3-yl)benzaldehyde is an organic compound with the formula C11H8OS. The systematic name of this chemical is 2-thiophen-3-ylbenzaldehyde. With the CAS registry number 99902-03-1, it is also named as Benzaldehyde, 2-(3-thienyl)-.

Physical properties about 2-(Thien-3-yl)benzaldehyde are: (1)ACD/LogP: 2.78; (2)#H bond acceptors: 1; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 45.31 Å2; (5)Index of Refraction: 1.637; (6)Molar Refractivity: 55.98 cm3; (7)Molar Volume: 155.8 cm3; (8)Polarizability: 22.19×10-24cm3; (9)Surface Tension: 47.3 dyne/cm; (10)Density: 1.207 g/cm3; (11)Flash Point: 115.3 °C; (12)Enthalpy of Vaporization: 54.41 kJ/mol; (13)Boiling Point: 303.8 °C at 760 mmHg; (14)Vapour Pressure: 0.000909 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1ccccc1c2ccsc2
(2)InChI: InChI=1/C11H8OS/c12-7-9-3-1-2-4-11(9)10-5-6-13-8-10/h1-8H
(3)InChIKey: ICLJIEBWQYGNIU-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C11H8OS/c12-7-9-3-1-2-4-11(9)10-5-6-13-8-10/h1-8H
(5)Std. InChIKey: ICLJIEBWQYGNIU-UHFFFAOYSA-N