CAS No.200400-76-6,Ethyl 2-(4'-hydroxyphenyl)-1,3-oxazole-4-carboxylate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	200400-76-6
Name:	Ethyl 2-(4'-hydroxyphenyl)-1,3-oxazole-4-carboxylate
Article Data:	4

Formula:	C₁₂H₁₁NO₄
Molecular Weight:	233.224
Synonyms:	Ethyl2-(4-hydroxyphenyl)oxazole-4-carboxylate;Ethyl 2-(4'-hydroxyphenyl)-1,3-oxazole-4-carboxylate;
Density:	1.27 g/cm³
Boiling Point:	399 °C at 760 mmHg
Flash Point:	195.1 °C
PSA:	72.56000
LogP:	2.22390

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Specification

The systematic name of Ethyl 2-(4'-hydroxyphenyl)-1,3-oxazole-4-carboxylate is ethyl 2-(4-hydroxyphenyl)-1,3-oxazole-4-carboxylate. With the CAS registry number 200400-76-6, it is also named as 4-Oxazolecarboxylic acid, 2-(4-hydroxyphenyl)-, ethyl ester. The product's categories are Coupling Series; Organic Materials; Pharmaceutical Intermediates; Intermediates; Heterocyclic Compounds. In addition, its molecular formula is C₁₂H₁₁NO₄ and its molecular weight is 233.22.

The other characteristics of Ethyl 2-(4'-hydroxyphenyl)-1,3-oxazole-4-carboxylate can be summarized as: (1)ACD/LogP: 2.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.5; (4)ACD/LogD (pH 7.4): 2.47; (5)ACD/BCF (pH 5.5): 47.04; (6)ACD/BCF (pH 7.4): 43.38; (7)ACD/KOC (pH 5.5): 547.85; (8)ACD/KOC (pH 7.4): 505.16; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 72.56 Å²; (13)Index of Refraction: 1.561; (14)Molar Refractivity: 59.52 cm³; (15)Molar Volume: 183.5 cm³; (16)Polarizability: 23.59×10^-24cm³; (17)Surface Tension: 50.1 dyne/cm; (18)Density: 1.27 g/cm³; (19)Flash Point: 195.1 °C; (20)Enthalpy of Vaporization: 67.5 kJ/mol; (21)Boiling Point: 399 °C at 760 mmHg; (22)Vapour Pressure: 6.14E-07 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: CCOC(=O)c1coc(n1)c2ccc(O)cc2
(2)InChI: InChI=1/C12H11NO4/c1-2-16-12(15)10-7-17-11(13-10)8-3-5-9(14)6-4-8/h3-7,14H,2H2,1H3
(3)InChIKey: XILWQVZWGWQRNU-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C12H11NO4/c1-2-16-12(15)10-7-17-11(13-10)8-3-5-9(14)6-4-8/h3-7,14H,2H2,1H3
(5)Std. InChIKey: XILWQVZWGWQRNU-UHFFFAOYSA-N