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953411-08-0

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Basic Information
CAS No.: 953411-08-0
Name: 5-METHYL-1H-INDOLE-2-BORONIC ACID
Molecular Structure:
Molecular Structure of 953411-08-0 (5-METHYL-1H-INDOLE-2-BORONIC ACID)
Formula: C9H10BNO2
Molecular Weight: 174.99
Synonyms: 5-METHYL-1H-INDOLE-2-BORONIC ACID;B-(5-Methyl-1H-indol-2-yl)boronic acid;Boronic acid, B-(5-methyl-1H-indol-2-yl)-;5-Methyl-1H-indol-2-ylboronic acid
Density: 1.27 g/cm3
Boiling Point: 434.5 °C at 760 mmHg
Flash Point: 216.6 °C
PSA: 56.25000
LogP: 0.15610
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Specification

This chemical is called B-(5-Methyl-1H-indol-2-yl)boronic acid, and its systematic name is (5-methyl-1H-indol-2-yl)boronic acid. With the molecular formula of C9H10BNO2, its molecular weight is 174.99. The CAS registry number of this chemical is 953411-08-0.

Other characteristics of the B-(5-Methyl-1H-indol-2-yl)boronic acid can be summarised as followings:  (1)ACD/LogP: 1.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.97; (4)ACD/LogD (pH 7.4): 1.97 ; (5)#H bond acceptors: 3; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 56.25 Å2; (9)Index of Refraction: 1.641; (10)Molar Refractivity: 49.39 cm3; (11)Molar Volume: 136.9 cm3; (12)Polarizability: 19.58×10-24cm3; (13)Surface Tension: 57 dyne/cm; (14)Density: 1.27 g/cm3; (15)Flash Point: 216.6 °C; (16)Enthalpy of Vaporization: 72.79 kJ/mol; (17)Boiling Point: 434.5 °C at 760 mmHg; (18)Vapour Pressure: 2.56E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: B(c1cc2cc(ccc2[nH]1)C)(O)O
2.InChI: InChI=1/C9H10BNO2/c1-6-2-3-8-7(4-6)5-9(11-8)10(12)13/h2-5,11-13H,1H3
3.InChIKey: HMSRSWWJIGXUBG-UHFFFAOYAK
4.Std. InChI: InChI=1S/C9H10BNO2/c1-6-2-3-8-7(4-6)5-9(11-8)10(12)13/h2-5,11-13H,1H3
5.Std. InChIKey: HMSRSWWJIGXUBG-UHFFFAOYSA-N