CAS No.3445-52-1,5-methylisoxazole-3-carboxamide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3445-52-1
Name:	5-methylisoxazole-3-carboxamide
Article Data:	7

Formula:	C₅H₆N₂O₂
Molecular Weight:	126.115
Synonyms:	3-Carbamoyl-5-methylisoxazole;5-Methylisoxazole-3-carboxamide;
EINECS:	222-361-5
Density:	1.255 g/cm³
Melting Point:	166-168℃ (water )
Boiling Point:	292.1 °C at 760 mmHg
Flash Point:	130.4 °C
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	69.12000
LogP:	0.78220

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Specification

The 5-Methyloxazole-3-carboxamide, with the CAS registry number 3445-52-1, is also known as 3-Carbamoyl-5-methylisoxazole. Its EINECS number is 222-361-5. This chemical's molecular formula is C₅H₆N₂O₂ and molecular weight is 126.11. What's more, its systematic name is 5-methyl-1,2-oxazole-3-carboxamide.

Physical properties of 5-Methyloxazole-3-carboxamide are: (1)ACD/LogP: -0.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.94; (4)ACD/BCF (pH 5.5): 1; (5)ACD/KOC (pH 5.5): 7.36; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 46.34 Å²; (10)Index of Refraction: 1.517; (11)Molar Refractivity: 30.39 cm³; (12)Molar Volume: 100.4 cm³; (13)Surface Tension: 50.3 dyne/cm; (14)Density: 1.255 g/cm³; (15)Flash Point: 130.4 °C; (16)Enthalpy of Vaporization: 53.16 kJ/mol; (17)Boiling Point: 292.1 °C at 760 mmHg; (18)Vapour Pressure: 0.00187 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC(=NO1)C(=O)N
(2)InChI: InChI=1S/C5H6N2O2/c1-3-2-4(5(6)8)7-9-3/h2H,1H3,(H2,6,8)
(3)InChIKey: KBOSIRPMGVGOEP-UHFFFAOYSA-N