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13302-43-7

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Basic Information
CAS No.: 13302-43-7
Name: 4-METHYL-2-PHENYL-2-OXAZOLINE-5-ONE
Article Data: 63
Cas Database
Molecular Structure:
Molecular Structure of 13302-43-7 (4-METHYL-2-PHENYL-2-OXAZOLINE-5-ONE)
Formula: C10H9NO2
Molecular Weight: 175.187
Synonyms: 2-Phenyl-4-methyl-2-oxazolin-5-one;2-Phenyl-4-methyl-4H-oxazol-5-one;2-Phenyl-4-methyl-4H-oxazolin-5-one;2-Phenyl-4-methyl-5-oxazolone;2-Phenyl-4-methyloxazolin-5-one;4-Methyl-2-phenyl-2-oxazolin-5-one;
Density: 1.21 g/cm3
Melting Point: 39-40 °C
Boiling Point: 254.9 °C at 760 mmHg
Flash Point: 114.5 °C
PSA: 38.66000
LogP: 0.81410
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Specification

The 5(4H)-Oxazolone,4-methyl-2-phenyl- is an organic compound with the formula C10H9NO2. The systematic name of this chemical is 4-Methyl-2-phenyl-1,3-oxazol-5(4H)-one. With the CAS registry number 13302-43-7, it is also named as 4-Methyl-2-phenyl-4H-oxazol-5-on. Besides, its molecular weight is 175.18.

The physical properties of 5(4H)-Oxazolone,4-methyl-2-phenyl- are: (1)ACD/LogP: 1.50; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 38.66 Å2; (5)Index of Refraction: 1.59; (6)Molar Refractivity: 48.64 cm3; (7)Molar Volume: 144 cm3; (8)Polarizability: 19.28×10-24 cm3; (9)Surface Tension: 42.5 dyne/cm; (10)Density: 1.21 g/cm3; (11)Flash Point: 114.5 °C; (12)Enthalpy of Vaporization: 49.24 kJ/mol; (13)Boiling Point: 254.9 °C at 760 mmHg; (14)Vapour Pressure: 0.0168 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1O\C(=N/C1C)c2ccccc2
(2)InChI: InChI=1/C10H9NO2/c1-7-10(12)13-9(11-7)8-5-3-2-4-6-8/h2-7H,1H3
(3)InChIKey: HHPTWKXNGPGQJH-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C10H9NO2/c1-7-10(12)13-9(11-7)8-5-3-2-4-6-8/h2-7H,1H3
(5)Std. InChIKey: HHPTWKXNGPGQJH-UHFFFAOYSA-N