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13471-35-7

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Basic Information
CAS No.: 13471-35-7
Name: Boronic acid,phenyl-dimethyl ester
Article Data: 12
Molecular Structure:
Molecular Structure of 13471-35-7 (Boronic acid,phenyl-dimethyl ester)
Formula: C8H11BO2
Molecular Weight: 149.985
Synonyms: Benzeneboronicacid, dimethyl ester (6CI,7CI,8CI);Boronic acid, phenyl-, dimethyl ester(9CI);Dimethoxyphenylborane;Phenylboronic acid,dimethyl ester;
Density: 0.95 g/cm3
Boiling Point: 197 °C at 760 mmHg
Flash Point: 2.9 °C
PSA: 18.46000
LogP: 0.67460
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Specification

The Boronic acid,B-phenyl-, dimethyl ester, with the CAS registry number 13471-35-7, is also known as Boronic acid, B-phenyl-, dimethyl ester. This chemical's molecular formula is C8H11BO2 and molecular weight is 149.9827. What's more, its IUPAC name is Dimethoxy(phenyl)borane.

Physical properties about Boronic acid,B-phenyl-, dimethyl ester are: (1)ACD/LogP: 2.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.75; (4)ACD/LogD (pH 7.4): 2.75; (5)ACD/BCF (pH 5.5): 72.58; (6)ACD/BCF (pH 7.4): 72.58; (7)ACD/KOC (pH 5.5): 747.45; (8)ACD/KOC (pH 7.4): 747.45; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.457; (14)Molar Refractivity: 42.96 cm3; (15)Molar Volume: 157.5 cm3; (16)Polarizability: 17.03×10-24 cm3; (17)Surface Tension: 26.7 dyne/cm; (18)Density: 0.95 g/cm3; (19)Flash Point: 72.9 °C; (20)Enthalpy of Vaporization: 41.55 kJ/mol; (21)Boiling Point: 197 °C at 760 mmHg; (22)Vapour Pressure: 0.545 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O(B(OC)c1ccccc1)C
(2) InChI: InChI=1/C8H11BO2/c1-10-9(11-2)8-6-4-3-5-7-8/h3-7H,1-2H3
(3) InChIKey: MJMJJGCCNUPJBI-UHFFFAOYAM