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26178-14-3

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Basic Information
CAS No.: 26178-14-3
Name: 3-Methyl-1,2,5-oxadiazole
Molecular Structure:
Molecular Structure of 26178-14-3 (3-Methyl-1,2,5-oxadiazole)
Formula: C3H4N2O
Molecular Weight: 84.0767
Synonyms: 1,2,5-Oxadiazole, 3-methyl-;
Density: 1.122 g/cm3
Boiling Point: 97.093 °C at 760 mmHg
Flash Point: 15.919 °C
PSA: 38.92000
LogP: 0.37800
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Specification

This chemical's CAS registry number is 26178-14-3 and it also known as 1,2,5-Oxadiazole, 3-methyl-. This chemical's molecular formula is C3H4N2O and molecular weight is 84.0767. What's more, both the product name and systematic name are the same which is called 3-Methyl-1,2,5-oxadiazole.

Physical properties about 3-Methyl-1,2,5-oxadiazole are: (1)ACD/LogP: 0.54; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.536; (4)ACD/LogD (pH 7.4): 0.536; (5)ACD/BCF (pH 5.5): 1.505; (6)ACD/BCF (pH 7.4): 1.505; (7)ACD/KOC (pH 5.5): 46.633; (8)ACD/KOC (pH 7.4): 46.633; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 38.92 Å2; (13)Index of Refraction: 1.435; (14)Molar Refractivity: 19.56 cm3; (15)Molar Volume: 74.951 cm3; (16)Polarizability: 7.754×10-24 cm3; (17)Surface Tension: 38.91 dyne/cm; (18)Density: 1.122 g/cm3; (19)Flash Point: 15.919 °C; (20)Enthalpy of Vaporization: 32.265 kJ/mol; (21)Boiling Point: 97.093 °C at 760 mmHg; (22)Vapour Pressure: 48.471 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1cnon1
(2) InChI: InChI=1/C3H4N2O/c1-3-2-4-6-5-3/h2H,1H3
(3) InChIKey: WBILDQZWYMFRNR-UHFFFAOYAD