CAS No.279262-88-3,(4-PROPOXY-3-METHYL)BENZENEBORONIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	279262-88-3
Name:	(4-PROPOXY-3-METHYL)BENZENEBORONIC ACID
Article Data:	1

Formula:	C₁₀H₁₅BO₃
Molecular Weight:	194.038
Synonyms:	Boronicacid, (3-methyl-4-propoxyphenyl)- (9CI);3-Methyl-4-propoxyphenylboronic acid;(3-methyl-4-propoxyphenyl)boronic acid;3-Methyl-4-propoxybenzeneboronic acid;
Density:	1.088 g/cm³
Melting Point:	154-156
Boiling Point:	345.492 °C at 760 mmHg
Flash Point:	162.748 °C
Hazard Symbols:	Xi
PSA:	49.69000
LogP:	0.46360

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Specification

The Boronic acid,B-(3-methyl-4-propoxyphenyl)-, with the CAS registry number 279262-88-3, has the systematic name of (3-methyl-4-propoxyphenyl)boronic acid. It belongs to the product categories of Blocks and Boronic Acids. And the molecular formula of the chemical is C₁₀H₁₅BO₃.

The characteristics of Boronic acid,B-(3-methyl-4-propoxyphenyl)- are as followings: (1)ACD/LogP: 2.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 118; (6)ACD/BCF (pH 7.4): 113; (7)ACD/KOC (pH 5.5): 1056; (8)ACD/KOC (pH 7.4): 1013; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 49.69 Å²; (13)Index of Refraction: 1.512; (14)Molar Refractivity: 53.539 cm³; (15)Molar Volume: 178.412 cm³; (16)Polarizability: 21.224×10^-24cm³; (17)Surface Tension: 40.023 dyne/cm; (18)Density: 1.088 g/cm³; (19)Flash Point: 162.748 °C; (20)Enthalpy of Vaporization: 62.22 kJ/mol; (21)Boiling Point: 345.492 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OB(O)c1ccc(OCCC)c(C)c1
(2)InChI: InChI=1/C10H15BO3/c1-3-6-14-10-5-4-9(11(12)13)7-8(10)2/h4-5,7,12-13H,3,6H2,1-2H3
(3)InChIKey: DXQZYSHXBAHHAG-UHFFFAOYAN