5-Isoxazolecarboxamide supplier

Name
ISOXAZOLE-5-CARBOXAMIDE
EINECS
CAS No. 89032-77-9
Density 1.331 g/cm³
Solubility
Melting Point
Formula C₄H₄N₂O₂
Boiling Point 372.3 °C at 760 mmHg
Molecular Weight 112.088
Flash Point 179 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms isoxazole-5-carboxamide;
PSA 69.12000
LogP 0.47380

5-Isoxazolecarboxamide 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

Product Name

ISOXAZOLE-5-CARBOXAMIDE

5-Isoxazolecarboxamide Specification

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