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The 5-Thiazoleacetic acid,4-hydroxy-2-phenyl-, with CAS registry number 133834-03-4, has the systematic name of (4-hydroxy-2-phenyl-1,3-thiazol-5-yl)acetic acid. Besides this, it is also called 2-(4-Hydroxy-2-phenyl-1,3-thiazol-5-yl)acetic acid. And the chemical formula of this chemical is C11H9NO3S.
Physical properties of 5-Thiazoleacetic acid,4-hydroxy-2-phenyl-: (1)ACD/LogP: 2.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): -2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 98.66 Å2; (13)Index of Refraction: 1.66; (14)Molar Refractivity: 60.316 cm3; (15)Molar Volume: 163.294 cm3; (16)Polarizability: 23.911×10-24cm3; (17)Surface Tension: 69.417 dyne/cm; (18)Density: 1.441 g/cm3; (19)Flash Point: 245.575 °C; (20)Enthalpy of Vaporization: 78.721 kJ/mol; (21)Boiling Point: 482.446 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)Cc1sc(nc1O)c2ccccc2
(2)InChI: InChI=1/C11H9NO3S/c13-9(14)6-8-10(15)12-11(16-8)7-4-2-1-3-5-7/h1-5,15H,6H2,(H,13,14)
(3)InChIKey: NOTOFOSPABEIMC-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C11H9NO3S/c13-9(14)6-8-10(15)12-11(16-8)7-4-2-1-3-5-7/h1-5,15H,6H2,(H,13,14)
(5)Std. InChIKey: NOTOFOSPABEIMC-UHFFFAOYSA-N