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115070-72-9

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Basic Information
CAS No.: 115070-72-9
Name: Texaline
Molecular Structure:
Molecular Structure of 115070-72-9 (Texaline)
Formula: C15H10N2O3
Molecular Weight: 266.25
Synonyms: Pyridine,3-[5-(1,3-benzodioxol-5-yl)-2-oxazolyl]-;
Density: 1.328 g/cm3
Boiling Point: 471.599 °C at 760 mmHg
Flash Point: 239.015 °C
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Specification

The Texaline, with the CAS registry number 115070-72-9, is also known as Pyridine, 3-[5-(1, 3-benzodioxol-5-yl)-2-oxazolyl]-. This chemical's molecular formula is C15H10N2O3 and molecular weight is 266.25. What's more, its systematic name is 5-(1, 3-Benzodioxol-5-yl)-2-(3-pyridyl)oxazole.

Physical properties about Texaline are: (1)ACD/LogP: 3.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.18; (4)ACD/LogD (pH 7.4): 3.183; (5)ACD/BCF (pH 5.5): 153.649; (6)ACD/BCF (pH 7.4): 154.539; (7)ACD/KOC (pH 5.5): 1276.452; (8)ACD/KOC (pH 7.4): 1283.844; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 57.38 Å2; (13)Index of Refraction: 1.616; (14)Molar Refractivity: 70.08 cm3; (15)Molar Volume: 200.423 cm3; (16)Polarizability: 27.782×10-24 cm3; (17)Surface Tension: 57.384 dyne/cm; (18)Density: 1.328 g/cm3; (19)Flash Point: 239.015 °C; (20)Enthalpy of Vaporization: 70.631 kJ/mol; (21)Boiling Point: 471.599 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1cc(cnc1)c2ncc(o2)c3ccc4c(c3)OCO4
(2) InChI: InChI=1/C15H10N2O3/c1-2-11(7-16-5-1)15-17-8-14(20-15)10-3-4-12-13(6-10)19-9-18-12/h1-8H,9H2
(3) InChIKey: SDHIXARCLVIOJM-UHFFFAOYAM