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CAS No.: | 313545-31-2 |
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Name: | 4-ETHOXY-2-METHYLPHENYLBORONIC ACID |
Molecular Structure: | |
Formula: | C9H13BO3 |
Molecular Weight: | 180.011 |
Synonyms: | Boronicacid, (4-ethoxy-2-methylphenyl)- (9CI);(4-Ethoxy-2-methylphenyl)boronic acid;2-Methyl-4-ethoxyphenylboronic acid; |
Density: | 1.11 g/cm3 |
Melting Point: | 163-168 °C(lit.) |
Boiling Point: | 338.258 °C at 760 mmHg |
Flash Point: | 158.373 °C |
Hazard Symbols: | Xi |
PSA: | 49.69000 |
LogP: | 0.07350 |
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The CAS register number of Boronic acid,B-(4-ethoxy-2-methylphenyl)- is 313545-31-2. It also can be called as 4-Ethoxy-2-methylphenylboronicacid and the systematic name about this chemical is (4-ethoxy-2-methylphenyl)boronic acid. The molecular formula about this chemical is C9H13BO3 and the molecular weight is 180.01. It belongs to the following product categories which include Blocks; BoronicAcids; Aryl; Boronic Acids; Boronic Acids and Derivatives and so on.
Physical properties about Boronic acid,B-(4-ethoxy-2-methylphenyl)- are: (1)ACD/LogP: 2.34; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 46; (5)ACD/BCF (pH 7.4): 45; (6)ACD/KOC (pH 5.5): 543; (7)ACD/KOC (pH 7.4): 531; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 49.69Å2; (12)Index of Refraction: 1.516; (13)Molar Refractivity: 48.908 cm3; (14)Molar Volume: 162.009 cm3; (15)Polarizability: 19.388x10-24cm3; (16)Surface Tension: 40.49 dyne/cm; (17)Flash Point: 158.373 °C; (18)Enthalpy of Vaporization: 61.385 kJ/mol; (19)Boiling Point: 338.258 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: CCOc1cc(C)c(cc1)B(O)O
(2)InChI: InChI=1/C9H13BO3/c1-3-13-8-4-5-9(10(11)12)7(2)6-8/h4-6,11-12H,3H2,1-2H3
(3)InChIKey: MBEQXBKSJCOKJF-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C9H13BO3/c1-3-13-8-4-5-9(10(11)12)7(2)6-8/h4-6,11-12H,3H2,1-2H3
(5)Std. InChIKey: MBEQXBKSJCOKJF-UHFFFAOYSA-N