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209673-76-7

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Basic Information
CAS No.: 209673-76-7
Name: 3,4-Bis(2-methylpropyloxy)benzeneboronic acid
Molecular Structure:
Molecular Structure of 209673-76-7 (3,4-Bis(2-methylpropyloxy)benzeneboronic acid)
Formula: C14H23BO4
Molecular Weight: 266.14
Synonyms: N-Hexadecanoyl-L-alanine
Density: 1.06 g/cm3
Boiling Point: 399.103 °C at 760 mmHg
Flash Point: 195.171 °C
PSA: 58.92000
LogP: 1.43600
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    Molecular Formula C14H23BO4 Molecular Weight 266.14 CAS Registry Number 209673-76-7 Name3,4-Bis(2-methylpropyloxy)benzeneb…

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Specification

This chemical is called 3,4-Bis(2-methylpropyloxy)benzeneboronic acid, and it can also be named as (3,4-Diisobutoxyphenyl)boronic acid. With the molecular formula of C14H23BO4, its molecular weight is 266.14. The CAS registry number of this chemical is 209673-76-7.

Other characteristics of the 3,4-Bis(2-methylpropyloxy)benzeneboronic acid can be summarised as followings: (1)ACD/LogP: 3.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 833; (6)ACD/BCF (pH 7.4): 724; (7)ACD/KOC (pH 5.5): 4284; (8)ACD/KOC (pH 7.4): 3726; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 58.92 Å2; (13)Index of Refraction: 1.499; (14)Molar Refractivity: 73.757 cm3; (15)Molar Volume: 251.137 cm3; (16)Polarizability: 29.24×10-24cm3; (17)Surface Tension: 38.432 dyne/cm; (18)Density: 1.06 g/cm3; (19)Flash Point: 195.171 °C; (20)Enthalpy of Vaporization: 68.524 kJ/mol; (21)Boiling Point: 399.103 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: OB(O)c1cc(OCC(C)C)c(cc1)OCC(C)C
2.InChI: InChI=1/C14H23BO4/c1-10(2)8-18-13-6-5-12(15(16)17)7-14(13)19-9-11(3)4/h5-7,10-11,16-17H,8-9H2,1-4H3
3.InChIKey: GXFNEUAHCFVNCM-UHFFFAOYAK