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139484-40-5

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Basic Information
CAS No.: 139484-40-5
Name: 4-(2-OXO-2-PHENYLETHOXY)BENZALDEHYDE
Article Data: 9
Molecular Structure:
Molecular Structure of 139484-40-5 (4-(2-OXO-2-PHENYLETHOXY)BENZALDEHYDE)
Formula: C15H12O3
Molecular Weight: 240.258
Synonyms: 4-(2-oxo-2-phenylethoxy)benzaldehyde(SALTDATA: FREE)
Density: 1.195g/cm3
Boiling Point: 429 °C at 760 mmHg
Flash Point: 193 °C
PSA: 43.37000
LogP: 2.76080
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Specification

The Benzaldehyde,4-(2-oxo-2-phenylethoxy)-, with CAS registry number 139484-40-5, has the systematic name of 4-(2-oxo-2-phenylethoxy)benzaldehyde. Its molecular weight is 240.254. And the chemical formula of this chemical is C15H12O3.

Physical properties of Benzaldehyde,4-(2-oxo-2-phenylethoxy)-: (1)ACD/LogP: 2.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.78; (4)ACD/LogD (pH 7.4): 2.78; (5)ACD/BCF (pH 5.5): 76.11; (6)ACD/BCF (pH 7.4): 76.11; (7)ACD/KOC (pH 5.5): 773.28; (8)ACD/KOC (pH 7.4): 773.28; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 43.37 Å2; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 69.28 cm3; (15)Molar Volume: 201 cm3; (16)Polarizability: 27.46×10-24cm3; (17)Surface Tension: 48.1 dyne/cm; (18)Density: 1.195 g/cm3; (19)Flash Point: 193 °C; (20)Enthalpy of Vaporization: 68.42 kJ/mol; (21)Boiling Point: 429 °C at 760 mmHg; (22)Vapour Pressure: 1.45E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc2ccc(OCC(=O)c1ccccc1)cc2
(2)InChI: InChI=1/C15H12O3/c16-10-12-6-8-14(9-7-12)18-11-15(17)13-4-2-1-3-5-13/h1-10H,11H2
(3)InChIKey: DUFOKNRIMNOESJ-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C15H12O3/c16-10-12-6-8-14(9-7-12)18-11-15(17)13-4-2-1-3-5-13/h1-10H,11H2
(5)Std. InChIKey: DUFOKNRIMNOESJ-UHFFFAOYSA-N