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Boronic acid,B-(4-ethoxy-2-methylphenyl)-

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Name

Boronic acid,B-(4-ethoxy-2-methylphenyl)-

EINECS N/A
CAS No. 313545-31-2 Density 1.11 g/cm3
PSA 49.69000 LogP 0.07350
Solubility N/A Melting Point 163-168 °C(lit.)
Formula C9H13BO3 Boiling Point 338.258 °C at 760 mmHg
Molecular Weight 180.011 Flash Point 158.373 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 313545-31-2 (4-ETHOXY-2-METHYLPHENYLBORONIC ACID) Hazard Symbols IrritantXi
Synonyms

Boronicacid, (4-ethoxy-2-methylphenyl)- (9CI);(4-Ethoxy-2-methylphenyl)boronic acid;2-Methyl-4-ethoxyphenylboronic acid;

 

Boronic acid,B-(4-ethoxy-2-methylphenyl)- Specification

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

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