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89032-77-9

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Basic Information
CAS No.: 89032-77-9
Name: ISOXAZOLE-5-CARBOXAMIDE
Molecular Structure:
Molecular Structure of 89032-77-9 (ISOXAZOLE-5-CARBOXAMIDE)
Formula: C4H4N2O2
Molecular Weight: 112.088
Synonyms: isoxazole-5-carboxamide;
Density: 1.331 g/cm3
Boiling Point: 372.3 °C at 760 mmHg
Flash Point: 179 °C
Hazard Symbols: IrritantXi
PSA: 69.12000
LogP: 0.47380
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Specification

The 5-Isoxazolecarboxamide has the CAS registry number 89032-77-9. It belongs to the product category of AMIDE. This chemical's molecular formula is C4H4N2O2 and molecular weight is 112.09. What's more, its systematic name is isoxazole-5-carboxamide.

Physical properties of 5-Isoxazolecarboxamide are: (1)ACD/LogP: -1.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.4; (4)ACD/LogD (pH 7.4): -1.4; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.14; (8)ACD/KOC (pH 7.4): 4.14; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 46.34 Å2; (13)Index of Refraction: 1.519; (14)Molar Refractivity: 25.57 cm3; (15)Molar Volume: 84.1 cm3; (16)Polarizability: 10.13×10-24 cm3; (17)Surface Tension: 55.6 dyne/cm; (18)Density: 1.331 g/cm3; (19)Flash Point: 179 °C; (20)Enthalpy of Vaporization: 61.94 kJ/mol; (21)Boiling Point: 372.3 °C at 760 mmHg; (22)Vapour Pressure: 9.7E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C(N)c1oncc1
(2)InChI: InChI=1/C4H4N2O2/c5-4(7)3-1-2-6-8-3/h1-2H,(H2,5,7)
(3)InChIKey: DSIBSRXKQRYPJP-UHFFFAOYAZ