CAS No.56442-19-4,4-[(4-METHYLBENZYL)OXY]BENZENECARBOXYLIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	56442-19-4
Name:	4-[(4-METHYLBENZYL)OXY]BENZENECARBOXYLIC ACID
Article Data:	6

Formula:	C₁₅H₁₃O₃^-
Molecular Weight:	242.274
Synonyms:	4-[(4-METHYLBENZYL)OXY]BENZENECARBOXYLIC ACID;4-[(4-methylbenzyl)oxy]benzoic acid
Density:	1.193g/cm³
Melting Point:	212 °C
Boiling Point:	409.2 °C at 760 mmHg
Flash Point:	154.2 °C
PSA:	46.53000
LogP:	3.27220

Total:14 Page 1 of 1 1

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Specification

The 4-[(4-methylphenyl)methoxy]benzoate, has the CAS registry number of 56442-19-4, It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₅H₁₃O₃^-.

The characteristics of 4-[(4-methylphenyl)methoxy]benzoate are as followings: (1)ACD/LogP: 4.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.97; (4)ACD/LogD (pH 7.4): 1.32; (5)ACD/BCF (pH 5.5): 58.09; (6)ACD/BCF (pH 7.4): 1.31; (7)ACD/KOC (pH 5.5): 309.61; (8)ACD/KOC (pH 7.4): 6.97; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 46.53Å²; (13)Flash Point: 154.2 °C; (14)Enthalpy of Vaporization: 69.73 kJ/mol; (15)Boiling Point: 409.2 °C at 760 mmHg; (16)Vapour Pressure: 1.98E-07 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [O-]C(=O)c2ccc(OCc1ccc(cc1)C)cc2
(2)InChI: InChI=1/C15H14O3/c1-11-2-4-12(5-3-11)10-18-14-8-6-13(7-9-14)15(16)17/h2-9H,10H2,1H3,(H,16,17)/p-1
(3)InChIKey: GQDITHZKLNZHHU-REWHXWOFAQ