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61553-69-3

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Basic Information
CAS No.: 61553-69-3
Name: 3-(2-OXO-2-PHENYLETHYL)-2H-1,4-BENZOXAZIN-2-ONE
Molecular Structure:
Molecular Structure of 61553-69-3 (3-(2-OXO-2-PHENYLETHYL)-2H-1,4-BENZOXAZIN-2-ONE)
Formula: C16H11NO3
Molecular Weight: 265.268
Synonyms: 2H-1,4-Benzoxazin-2-one,3-phenacyl- (6CI);
Density: 1.26 g/cm3
Boiling Point: 457.1 °C at 760 mmHg
Flash Point: 219.4 °C
PSA: 60.17000
LogP: 2.61340
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Specification

The CAS register number of 2H-1,4-Benzoxazin-2-one,3-(2-oxo-2-phenylethyl)- is 61553-69-3. The systematic name about this chemical is 3-(2-oxo-2-phenylethyl)-2H-1,4-benzoxazin-2-one. The molecular formula about this chemical is C16H11NO3 and the molecular weight is 265.26824.

Physical properties about 2H-1,4-Benzoxazin-2-one,3-(2-oxo-2-phenylethyl)- are: (1)ACD/LogP: 2.52; (2)#H bond acceptors: 4; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 55.73 Å2; (5)Index of Refraction: 1.629; (6)Molar Refractivity: 74.78 cm3; (7)Molar Volume: 210.4 cm3; (8)Polarizability: 29.64x10-24cm3; (9)Surface Tension: 49.4 dyne/cm; (10)Density: 1.26 g/cm3; (11)Flash Point: 219.4 °C; (12)Enthalpy of Vaporization: 71.71 kJ/mol; (13)Boiling Point: 457.1 °C at 760 mmHg; (14)Vapour Pressure: 1.54E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccccc1)CC\2=N\c3c(OC/2=O)cccc3
(2)InChI: InChI=1/C16H11NO3/c18-14(11-6-2-1-3-7-11)10-13-16(19)20-15-9-5-4-8-12(15)17-13/h1-9H,10H2
(3)InChIKey: FQENJNZYUGCSGH-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C16H11NO3/c18-14(11-6-2-1-3-7-11)10-13-16(19)20-15-9-5-4-8-12(15)17-13/h1-9H,10H2
(5)Std. InChIKey: FQENJNZYUGCSGH-UHFFFAOYSA-N