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CAS No.: | 92901-88-7 |
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Name: | 2,5-DIMETHYL-1,3-OXAZOLE-4-CARBALDEHYDE |
Molecular Structure: | |
Formula: | C6H7NO2 |
Molecular Weight: | 125.127 |
Synonyms: | 2,5-dimethyl-1,3-oxazole-4-carbaldehyde;2,5-Dimethyloxazole-4-carbaldehyde; |
Density: | 1.14 g/cm3 |
Boiling Point: | 197.8 °C at 760 mmHg |
Flash Point: | 73.4 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36 |
Safety: | 26 |
PSA: | 43.10000 |
LogP: | 1.10390 |
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The 4-Oxazolecarboxaldehyde,2,5-dimethyl-, with the CAS registry number 92901-88-7, has the systematic name and IUPAC name of 2,5-dimethyl-1,3-oxazole-4-carbaldehyde. It belongs to the product category of Pharmacetical. And the molecular formula of the chemical is C6H7NO2.
The characteristics of 4-Oxazolecarboxaldehyde,2,5-dimethyl- are as followings: (1)ACD/LogP: 0.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.05; (4)ACD/LogD (pH 7.4): 0.05; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 25.45; (8)ACD/KOC (pH 7.4): 25.45; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 43.1 Å2; (13)Index of Refraction: 1.514; (14)Molar Refractivity: 33.04 cm3; (15)Molar Volume: 109.6 cm3; (16)Polarizability: 13.1×10-24cm3; (17)Surface Tension: 39.9 dyne/cm; (18)Density: 1.14 g/cm3; (19)Flash Point: 73.4 °C; (20)Enthalpy of Vaporization: 43.4 kJ/mol; (21)Boiling Point: 197.8 °C at 760 mmHg; (22)Vapour Pressure: 0.371 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=Cc1nc(oc1C)C
(2)InChI: InChI=1/C6H7NO2/c1-4-6(3-8)7-5(2)9-4/h3H,1-2H3
(3)InChIKey: MLYKOGIEABSYKL-UHFFFAOYAS