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60759-49-1

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Basic Information
CAS No.: 60759-49-1
Name: 3-Acetyl-2(3H)-oxazolone
Article Data: 10
Molecular Structure:
Molecular Structure of 60759-49-1 (3-Acetyl-2(3H)-oxazolone)
Formula: C5H5NO3
Molecular Weight: 127.1
Synonyms: 3-Acetyloxazolin-2-one;N-Acetyl-1,3-oxazol-2-one;3-Acetyl-2-oxazolone;3-Acetyl-4-oxazolin-2-one;
Density: 1.383 g/cm3
Melting Point: 36-38 °C
Boiling Point: 214.6 °C at 760 mmHg
Flash Point: 107.2 °C
PSA: 52.21000
LogP: 0.10140
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Specification

The 2(3H)-Oxazolone,3-acetyl-, with the CAS registry number 60759-49-1, is also known as 3-Acetyloxazol-2(3H)-one. This chemical's molecular formula is C5H5NO3 and molecular weight is 127.0981. Its systematic name is called 3-acetyl-1,3-oxazol-2(3H)-one.

Physical properties of 2(3H)-Oxazolone,3-acetyl-: (1)ACD/LogP: -0.68; (2)ACD/LogD (pH 5.5): -0.68; (3)ACD/LogD (pH 7.4): -0.68; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 10.17; (7)ACD/KOC (pH 7.4): 10.17; (8)#H bond acceptors: 4; (9)Index of Refraction: 1.52; (10)Molar Refractivity: 27.94 cm3; (11)Molar Volume: 91.8 cm3; (12)Surface Tension: 50.7 dyne/cm; (13)Density: 1.383 g/cm3; (14)Flash Point: 107.2 °C; (15)Enthalpy of Vaporization: 45.09 kJ/mol; (16)Boiling Point: 214.6 °C at 760 mmHg; (17)Vapour Pressure: 0.155 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N1/C=C\OC1=O)C
(2)InChI: InChI=1/C5H5NO3/c1-4(7)6-2-3-9-5(6)8/h2-3H,1H3
(3)InChIKey: VIGLDWMUCWLDBE-UHFFFAOYAD