Boronic acid,B-[3-(cyclopentyloxy)-4-methoxyphenyl]- supplier

Name
3-CYCLOPENTYLOXY-4-METHOXYBENZENEBORONIC ACID
EINECS
CAS No. 159613-21-5
Article Data6
CAS DataBase
Density 1.18 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₇BO₄
Boiling Point 404.9 °C at 760 mmHg
Molecular Weight 236.076
Flash Point 198.7 °C
Transport Information
Appearance
Safety 26
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, [3-(cyclopentyloxy)-4-methoxyphenyl]- (9CI);[3-(Cyclopentyloxy)-4-methoxyphenyl]boronic acid;3-(Cyclopentyloxy)-4-methoxybenzeneboronic acid;
PSA 58.92000
LogP 0.69640

Boronic acid,B-[3-(cyclopentyloxy)-4-methoxyphenyl]- Specification

The Boronic acid,B-[3-(cyclopentyloxy)-4-methoxyphenyl]-, with the CAS registry number 159613-21-5, is also known as 3-(Cyclopentyloxy)-4-methoxybenzeneboronic acid. This chemical's molecular formula is C₁₂H₁₇BO₄ and molecular weight is 236.07. What's more, its systematic name is [3-(cyclopentyloxy)-4-methoxyphenyl]boronic acid.

Physical properties of Boronic acid,B-[3-(cyclopentyloxy)-4-methoxyphenyl]- are: (1)ACD/LogP: 2.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.82; (4)ACD/LogD (pH 7.4): 2.77; (5)ACD/BCF (pH 5.5): 82; (6)ACD/BCF (pH 7.4): 73.69; (7)ACD/KOC (pH 5.5): 815.36; (8)ACD/KOC (pH 7.4): 732.7; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 36.92 Å²; (13)Index of Refraction: 1.539; (14)Molar Refractivity: 62.47 cm³; (15)Molar Volume: 199.1 cm³; (16)Polarizability: 24.76×10^-24cm³; (17)Surface Tension: 45.6 dyne/cm; (18)Density: 1.18 g/cm³; (19)Flash Point: 198.7 °C; (20)Enthalpy of Vaporization: 69.21 kJ/mol; (21)Boiling Point: 404.9 °C at 760 mmHg; (22)Vapour Pressure: 2.78E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1c(OC)ccc(B(O)O)c1)C2CCCC2
(2)InChI: InChI=1S/C12H17BO4/c1-16-11-7-6-9(13(14)15)8-12(11)17-10-4-2-3-5-10/h6-8,10,14-15H,2-5H2,1H3
(3)InChIKey: PTXMXVNPZGJCAA-UHFFFAOYSA-N

Product Name

3-CYCLOPENTYLOXY-4-METHOXYBENZENEBORONIC ACID

Boronic acid,B-[3-(cyclopentyloxy)-4-methoxyphenyl]- Specification

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