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20662-83-3

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Basic Information
CAS No.: 20662-83-3
Name: 4,5-Dimethyloxazole
Molecular Structure:
Molecular Structure of 20662-83-3 (4,5-Dimethyloxazole)
Formula: C5H7NO
Molecular Weight: 97.1167
Synonyms: 4,5-Dimethyl-1,3-oxazole;Oxazole, 4,5-dimethyl-;AC1L1J1I;
Density: 0.99 g/cm3
Melting Point: 239-240℃
Boiling Point: 117.8 °C at 760 mmHg
Flash Point: 34.6 °C
PSA: 26.03000
LogP: 1.29140
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Specification

The 4,5-Dimethyloxazole with CAS registry number of 20662-83-3 is also known as Oxazole, 4,5-dimethyl-. The IUPAC name is 4,5-Dimethyl-1,3-oxazole. In addition, the formula is C5H7NO and the molecular weight is 97.12.

Physical properties about 4,5-Dimethyloxazole are: (1)ACD/LogP: 1.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.04; (4)ACD/LogD (pH 7.4): 1.04; (5)ACD/BCF (pH 5.5): 3.63; (6)ACD/BCF (pH 7.4): 3.64; (7)ACD/KOC (pH 5.5): 87.64; (8)ACD/KOC (pH 7.4): 87.67; (9)#H bond acceptors: 2; (10)Index of Refraction: 1.449; (11)Molar Refractivity: 26.29 cm3; (12)Molar Volume: 98 cm3; (13)Surface Tension: 30.7 dyne/cm; (14)Density: 0.99 g/cm3; (15)Flash Point: 34.6 °C; (16)Enthalpy of Vaporization: 34.13 kJ/mol; (17)Boiling Point: 117.8 °C at 760 mmHg; (18)Vapour Pressure: 20.5 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES:n1c(c(oc1)C)C
2. InChI:InChI=1/C5H7NO/c1-4-5(2)7-3-6-4/h3H,1-2H3
3. InChIKey:YVORRVFKHZLJGZ-UHFFFAOYAF
4. Std. InChI:InChI=1S/C5H7NO/c1-4-5(2)7-3-6-4/h3H,1-2H3
5. Std. InChIKey:YVORRVFKHZLJGZ-UHFFFAOYSA-N