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16378-06-6

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Basic Information
CAS No.: 16378-06-6
Name: 3-THIEN-3-YLPROPANOIC ACID
Molecular Structure:
Molecular Structure of 16378-06-6 (3-THIEN-3-YLPROPANOIC ACID)
Formula: C7H8O2S
Molecular Weight: 156.205
Synonyms: 3-Thiophenepropionicacid (6CI,7CI,8CI);3-(3-Thienyl)propanoic acid;3-(3-Thienyl)propionic acid;NSC 109407;
Density: 1.271 g/cm3
Melting Point: 61-62 °C
Boiling Point: 284.965 °C at 760 mmHg
Flash Point: 126.142 °C
PSA: 65.54000
LogP: 1.76530
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Specification

The 3-Thiophenepropanoicacid is an organic compound with the formula C7H8O2S. The IUPAC name of this chemical is 3-Thiophen-3-ylpropanoic acid. With the CAS registry number 16378-06-6, it is also named as 3-(3-Thienyl)propanoic acid. Besides, its molecular weight is 156.2022.

Physical properties about 3-Thiophenepropanoicacid are: (1)ACD/LogP: 0.97; (2)ACD/LogD (pH 5.5): 0.042; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 9.46; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 65.54 Å2; (11)Index of Refraction: 1.571; (12)Molar Refractivity: 40.384 cm3; (13)Molar Volume: 122.863 cm3; (14)Polarizability: 16.009×10-24 cm3; (15)Surface Tension: 51.173 dyne/cm; (16)Density: 1.271 g/cm3; (17)Flash Point: 126.142 °C; (18)Enthalpy of Vaporization: 55.342 kJ/mol; (19)Boiling Point: 284.965 °C at 760 mmHg; (20)Vapour Pressure: 0.001 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C7H8O2S/c8-7(9)2-1-6-3-4-10-5-6/h3-5H,1-2H2,(H,8,9)
(2)InChIKey: YUSDDNTYMDWOCY-UHFFFAOYAG
(3)Std. InChI: InChI=1S/C7H8O2S/c8-7(9)2-1-6-3-4-10-5-6/h3-5H,1-2H2,(H,8,9)
(4)Std. InChIKey: YUSDDNTYMDWOCY-UHFFFAOYSA-N