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3-Isoxazolecarboxamide,5-(hydroxymethyl)-N-methyl- (210641-15-9)

Identification
Name:3-Isoxazolecarboxamide,5-(hydroxymethyl)-N-methyl-
Synonyms:5-(Hydroxymethyl)-N-methylisoxazole-3-carboxamide;
CAS:210641-15-9
Molecular Formula: C6H8N2O3
Molecular Weight: 156.14
InChI: InChI=1/C6H8N2O3/c1-7-6(10)5-2-4(3-9)11-8-5/h2,9H,3H2,1H3,(H,7,10)
Molecular Structure: (C6H8N2O3) 5-(Hydroxymethyl)-N-methylisoxazole-3-carboxamide;
Properties
Density:1.305 g/cm3
Refractive index:1.526
Specification:

The 5-(Hydroxymethyl)-N-methylisoxazole-3-carboxamide with the CAS number 210641-15-9 is also called 3-Isoxazolecarboxamide,5-(hydroxymethyl)-N-methyl-. Its molecular formula is C6H8N2O3. This chemical belongs to the following product categories: (1)Oxazole; (2)Aldehyde; (3)Amide.

The properties of the 5-(Hydroxymethyl)-N-methylisoxazole-3-carboxamide are: (1)ACD/LogP: -0.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 75.36 Å2; (13)Index of Refraction: 1.526; (14)Molar Refractivity: 36.718 cm3; (15)Molar Volume: 119.615 cm3; (16)Polarizability: 14.556×10-24cm3; (17)Surface Tension: 52.57 dyne/cm; (18)Enthalpy of Vaporization: 69.882 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CNC(=O)c1cc(on1)CO
(2)InChI: InChI=1/C6H8N2O3/c1-7-6(10)5-2-4(3-9)11-8-5/h2,9H,3H2,1H3,(H,7,10)
(3)InChIKey: NUNULGLALWOMKB-UHFFFAOYAF

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