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CAS No.: | 884539-45-1 |
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Name: | OXAZOLE-2-CARBOXYLIC ACID AMIDE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C4H4N2O2 |
Molecular Weight: | 112.088 |
Synonyms: | 1,3-oxazole-2-carboxamide;Oxazole-2-carboxylic acid amide; |
Density: | 1.331 g/cm3 |
Boiling Point: | 253 °C at 760 mmHg |
Flash Point: | 106.8 °C |
PSA: | 69.12000 |
LogP: | 0.47380 |
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This chemical is called 1,3-Oxazole-2-carboxamide, and it can also be named as Oxazole-2-carboxylic acid amide. With the molecular formula of C4H4N2O2, its molecular weight is 112.09. The CAS registry number of this chemical is 884539-45-1.
Other characteristics of the 1,3-Oxazole-2-carboxamide can be summarised as followings: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 9.58; (5)ACD/KOC (pH 7.4): 9.58; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 69.12 Å2; (10)Index of Refraction: 1.519; (11)Molar Refractivity: 25.57 cm3; (12)Molar Volume: 84.1 cm3; (13)Polarizability: 10.13×10-24cm3; (14)Surface Tension: 55.6 dyne/cm; (15)Density: 1.331 g/cm3; (16)Flash Point: 106.8 °C; (17)Enthalpy of Vaporization: 49.03 kJ/mol; (18)Boiling Point: 253 °C at 760 mmHg; (19)Vapour Pressure: 0.0188 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: NC(=O)c1ncco1
2.InChI: InChI=1/C4H4N2O2/c5-3(7)4-6-1-2-8-4/h1-2H,(H2,5,7)
3.InChIKey: PLCMVACJJSYDFV-UHFFFAOYAF