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55850-41-4

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Basic Information
CAS No.: 55850-41-4
Name: 2,6-Dimethylbenzo-(1,2-d, 3,4-d)bisoxazole
Article Data: 4
Molecular Structure:
Molecular Structure of 55850-41-4 (2,6-Dimethylbenzo-(1,2-d, 3,4-d)bisoxazole)
Formula: C10H8N2O2
Molecular Weight: 188.186
Synonyms: 2,6-Dimethylbenzo-[1,2-d, 3,4-d]bisoxazole;
Density: 1.322 g/cm3
Boiling Point: 304.7 °C at 760 mmHg
Flash Point: 140.2 °C
PSA: 52.06000
LogP: 2.58580
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  • 2,6-DIMETHYLBENZO-(1,2-D,3,4-D)BISOXAZOLE

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Specification

The Benzo[1,2-d:5,4-d']bisoxazole,2,6-dimethyl-, with the CAS registry number 55850-41-4, is also known as 2,6-Dimethylbenzo-[1,2-d, 3,4-d]bisoxazole. This chemical's molecular formula is C10H8N2O2 and molecular weight is 188.1827. What's more, its systematic name is called 2,7-Dimethylbenzo[1,2-d:3,4-d']bis[1,3]oxazole.

Physical properties about Benzo[1,2-d:5,4-d']bisoxazole,2,6-dimethyl- are: (1)ACD/LogP: 1.43; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 52.06 Å2; (7)Index of Refraction: 1.657; (8)Molar Refractivity: 52.36 cm3; (9)Molar Volume: 142.2 cm3; (10)Polarizability: 20.76×10-24 cm3; (11)Surface Tension: 54.4 dyne/cm; (12)Density: 1.322 g/cm3; (13)Flash Point: 140.2 °C; (14)Enthalpy of Vaporization: 52.33 kJ/mol; (15)Boiling Point: 304.7 °C at 760 mmHg; (16)Vapour Pressure: 0.00155 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: o2c(nc3c1oc(nc1ccc23)C)C
(2) InChI: InChI=1/C10H8N2O2/c1-5-11-7-3-4-8-9(10(7)14-5)12-6(2)13-8/h3-4H,1-2H3
(3) InChIKey: DSKROQCUBLDQMB-UHFFFAOYAJ