CAS No.411229-76-0,3-(CYCLOPROPYLMETHOXY)BENZENEBORONIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	411229-76-0
Name:	3-(CYCLOPROPYLMETHOXY)BENZENEBORONIC ACID

Formula:	C₁₀H₁₃BO₃
Molecular Weight:	192.02
Synonyms:	Boronicacid, [3-(cyclopropylmethoxy)phenyl]- (9CI);3-(Cyclopropylmethoxy)phenylboronic acid;
Density:	1.19 g/cm³
Boiling Point:	373.4 °C at 760 mmHg
Flash Point:	179.6 °C
Hazard Symbols:	Xi
PSA:	49.69000
LogP:	0.15520

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Specification

The Boronic acid,B-[3-(cyclopropylmethoxy)phenyl]- is an organic compound with the formula C₁₀H₁₃BO₃. The systematic name of this chemical is [3-(cyclopropylmethoxy)phenyl]boronic acid. With the CAS registry number 411229-76-0, it is also named as 3-(Cyclopropylmethoxy)benzeneboronic acid.

Physical properties about Boronic acid,B-[3-(cyclopropylmethoxy)phenyl]- are: (1)ACD/LogP: 2.40; (2)ACD/LogD (pH 5.5): 2.4; (3)ACD/LogD (pH 7.4): 2.33; (4)ACD/BCF (pH 5.5): 39.36; (5)ACD/BCF (pH 7.4): 33.11; (6)ACD/KOC (pH 5.5): 481.99; (7)ACD/KOC (pH 7.4): 405.49; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 27.69 Å²; (12)Index of Refraction: 1.553; (13)Molar Refractivity: 51.48 cm³; (14)Molar Volume: 160.6 cm³; (15)Polarizability: 20.4×10^-24cm³; (16)Surface Tension: 46.2 dyne/cm; (17)Density: 1.19 g/cm³; (18)Flash Point: 179.6 °C; (19)Enthalpy of Vaporization: 65.48 kJ/mol; (20)Boiling Point: 373.4 °C at 760 mmHg; (21)Vapour Pressure: 3.08E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1cc(ccc1)B(O)O)CC2CC2
(2)InChI: InChI=1/C10H13BO3/c12-11(13)9-2-1-3-10(6-9)14-7-8-4-5-8/h1-3,6,8,12-13H,4-5,7H2
(3)InChIKey: JKQCWRCXYIUCCN-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C10H13BO3/c12-11(13)9-2-1-3-10(6-9)14-7-8-4-5-8/h1-3,6,8,12-13H,4-5,7H2
(5)Std. InChIKey: JKQCWRCXYIUCCN-UHFFFAOYSA-N