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CAS No.: | 149557-18-6 |
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Name: | 3-PROPOXYPHENYLBORONIC ACID |
Molecular Structure: | |
Formula: | C9H13BO3 |
Molecular Weight: | 180.01 |
Synonyms: | 3-Propyloxybenzeneboronic acid;Boronicacid, (3-propoxyphenyl)- (9CI); |
Density: | 1.1 g/cm3 |
Melting Point: | 99-106 °C(lit.) |
Boiling Point: | 339.4 °C at 760 mmHg |
Flash Point: | 159 °C |
PSA: | 49.69000 |
LogP: | 0.15520 |
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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