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Name |
Boronicacid, B-(5-methyl-2-propoxyphenyl)- |
EINECS | N/A |
CAS No. | 480438-70-8 | Density | 1.08 g/cm3 |
PSA | 49.69000 | LogP | 0.46360 |
Solubility | N/A | Melting Point |
68-73 °C(lit.) |
Formula | C10H15BO3 | Boiling Point | 362.9 °C at 760 mmHg |
Molecular Weight | 194.0353 | Flash Point | 173.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Boronicacid, (5-methyl-2-propoxyphenyl)- (9CI); |
The Boronicacid, B-(5-methyl-2-propoxyphenyl)-, with the CAS registry number 480438-70-8, is also known as 5-Methyl-2-propoxyphenylboronic acid. It belongs to the product categories of Blocks; Aryl; Boronic Acids and Derivatives. This chemical's molecular formula is C10H15BO3 and molecular weight is 194.0353. What's more, its systematic name is (5-Methyl-2-propoxyphenyl)boronic acid.
Physical properties about Boronicacid, B-(5-methyl-2-propoxyphenyl)- are: (1)ACD/LogP: 3.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.03; (4)ACD/LogD (pH 7.4): 3.01; (5)ACD/BCF (pH 5.5): 117.64; (6)ACD/BCF (pH 7.4): 111.91; (7)ACD/KOC (pH 5.5): 1055.92; (8)ACD/KOC (pH 7.4): 1004.54; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.512; (14)Molar Refractivity: 53.53 cm3; (15)Molar Volume: 178.4 cm3; (16)Polarizability: 21.22×10-24cm3; (17)Surface Tension: 40 dyne/cm; (18)Density: 1.08 g/cm3; (19)Flash Point: 173.3 °C; (20)Enthalpy of Vaporization: 64.24 kJ/mol; (21)Boiling Point: 362.9 °C at 760 mmHg; (22)Vapour Pressure: 6.68E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O(c1ccc(cc1B(O)O)C)CCC
(2) InChI: InChI=1/C10H15BO3/c1-3-6-14-10-5-4-8(2)7-9(10)11(12)13/h4-5,7,12-13H,3,6H2,1-2H3
(3) InChIKey: MCOSPZKDVLIUOJ-UHFFFAOYAL