2-Propen-1-one,1-(2-hydroxyphenyl)-3-(2-thienyl)- supplier

Name
(E)-1-(2-HYDROXYPHENYL)-3-(2-THIENYL)-2-PROPEN-1-ONE
EINECS
CAS No. 2875-22-1
Article Data46
CAS DataBase
Density 1.295 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₀O₂S
Boiling Point 407.1 °C at 760 mmHg
Molecular Weight 230.287
Flash Point 200 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Acrylophenone, 2'-hydroxy-3-(2-thienyl)- (6CI,7CI,8CI);NSC45935;1-(2-hydroxyphenyl)-3-(2-thienyl)prop-2-en-1-one;(E)-1-(2-hydroxyphenyl)-3-(2-thienyl)-2-propen-1-one;
PSA 65.54000
LogP 3.34980

2-Propen-1-one,1-(2-hydroxyphenyl)-3-(2-thienyl)- Specification

The 2-Propen-1-one,1-(2-hydroxyphenyl)-3-(2-thienyl)-, with the CAS registry number 2875-22-1, is also known as 1-(2-hydroxyphenyl)-3-(2-thienyl)prop-2-en-1-one. This chemical's molecular formula is C₁₃H₁₀O₂S and formula weight is 230.28. What's more, its IUPAC name is (E)-1-(2-hydroxyphenyl)-3-thiophen-2-ylprop-2-en-1-one.

Physical properties of 2-Propen-1-one,1-(2-hydroxyphenyl)-3-(2-thienyl)- are: (1)ACD/LogP: 3.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.81; (4)ACD/LogD (pH 7.4): 3.64; (5)ACD/BCF (pH 5.5): 463.62; (6)ACD/BCF (pH 7.4): 314.71; (7)ACD/KOC (pH 5.5): 2813.8; (8)ACD/KOC (pH 7.4): 1910.06; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 54.54 Å²; (13)Index of Refraction: 1.682; (14)Molar Refractivity: 67.37 cm³; (15)Molar Volume: 177.7 cm³; (16)Surface Tension: 57.3 dyne/cm; (17)Density: 1.295 g/cm³; (18)Flash Point: 200 °C; (19)Enthalpy of Vaporization: 68.46 kJ/mol; (20)Boiling Point: 407.1 °C at 760 mmHg; (21)Vapour Pressure: 3.28E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C(=C1)C(=O)C=CC2=CC=CS2)O
(2)Isomeric SMILES: C1=CC=C(C(=C1)C(=O)/C=C/C2=CC=CS2)O
(3)InChI: InChI=1S/C13H10O2S/c14-12-6-2-1-5-11(12)13(15)8-7-10-4-3-9-16-10/h1-9,14H/b8-7+
(4)InChIKey: KROMWFWQAIFUPA-BQYQJAHWSA-N

Product Name

(E)-1-(2-HYDROXYPHENYL)-3-(2-THIENYL)-2-PROPEN-1-ONE

2-Propen-1-one,1-(2-hydroxyphenyl)-3-(2-thienyl)- Specification

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