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3-Propoxyphenylboronic acid

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Name

3-Propoxyphenylboronic acid

EINECS N/A
CAS No. 149557-18-6 Density 1.1 g/cm3
PSA 49.69000 LogP 0.15520
Solubility N/A Melting Point 99-106 °C(lit.)
Formula C9H13BO3 Boiling Point 339.4 °C at 760 mmHg
Molecular Weight 180.01 Flash Point 159 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 149557-18-6 (3-PROPOXYPHENYLBORONIC ACID) Hazard Symbols N/A
Synonyms

3-Propyloxybenzeneboronic acid;Boronicacid, (3-propoxyphenyl)- (9CI);

 

3-Propoxyphenylboronic acid Specification

The Boronic acid,B-(3-propoxyphenyl)-, with the CAS registry number 149557-18-6, is also known as 3-Propoxyphenylboronic acid. It belongs to the product categories of Boronic acids; Aryl; Boronic Acids; Boronic Acids and Derivatives. This chemical's molecular formula is C9H13BO3 and molecular weight is 180.01. What's more, both its IUPAC name and systematic name are the same which is called (3-Propoxyphenyl)boronic acid. It should be stored in a cool, dry and well-ventilated place.

Physical properties about Boronic acid,B-(3-propoxyphenyl)- are: (1)ACD/LogP: 2.57; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 27.69 Å2; (7)Index of Refraction: 1.514; (8)Molar Refractivity: 48.91 cm3; (9)Molar Volume: 162.4 cm3; (10)Surface Tension: 40.7 dyne/cm; (11)Density: 1.1 g/cm3; (12)Flash Point: 159 °C; (13)Enthalpy of Vaporization: 61.51 kJ/mol; (14)Boiling Point: 339.4 °C at 760 mmHg; (15)Vapour Pressure: 3.59E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O(c1cccc(c1)B(O)O)CCC
(2) InChI: InChI=1S/C9H13BO3/c1-2-6-13-9-5-3-4-8(7-9)10(11)12/h3-5,7,11-12H,2,6H2,
1H3
(3) InChIKey: SRSWMXFANVKOFH-UHFFFAOYSA-N

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