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CAS No.: | 4866-00-6 |
---|---|
Name: | 4-METHYL-OXAZOLE-5-CARBOXYLIC ACID AMIDE |
Molecular Structure: | |
Formula: | C5H6N2O2 |
Molecular Weight: | 126.115 |
Synonyms: | 4-Methyl-5-oxazolecarboxamide;5-Carbamoyl-4-methyloxazole; |
EINECS: | 225-472-7 |
Density: | 1.255 g/cm3 |
Boiling Point: | 260.1 °C at 760 mmHg |
Flash Point: | 111.1 °C |
PSA: | 70.11000 |
LogP: | 0.96610 |
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The CAS register number of 5-Oxazolecarboxamide,4-methyl- is 4866-00-6. It also can be called as 5-Carbamoyl-4-methyloxazole and the systematic name about this chemical is 4-methyl-1,3-oxazole-5-carboxamide. The molecular formula about this chemical is C5H6N2O2 and the molecular weight is 126.11.
Physical properties about 5-Oxazolecarboxamide,4-methyl- are: (1)ACD/LogP: -0.90; (2)ACD/LogD (pH 5.5): -0.9; (3)ACD/LogD (pH 7.4): -0.9; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 7.74; (7)ACD/KOC (pH 7.4): 7.74; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 46.34 Å2; (12)Index of Refraction: 1.517; (13)Molar Refractivity: 30.39 cm3; (14)Molar Volume: 100.4 cm3; (15)Polarizability: 12.05x10-24cm3; (16)Surface Tension: 50.3 dyne/cm; (17)Density: 1.255 g/cm3; (18)Flash Point: 111.1 °C; (19)Enthalpy of Vaporization: 49.78 kJ/mol; (20)Boiling Point: 260.1 °C at 760 mmHg; (21)Vapour Pressure: 0.0125 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)c1ocnc1C
(2)InChI: InChI=1/C5H6N2O2/c1-3-4(5(6)8)9-2-7-3/h2H,1H3,(H2,6,8)
(3)InChIKey: HBKBZJZRIWAICY-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C5H6N2O2/c1-3-4(5(6)8)9-2-7-3/h2H,1H3,(H2,6,8)
(5)Std. InChIKey: HBKBZJZRIWAICY-UHFFFAOYSA-N