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Benzaldehyde,4-(2-oxo-2-phenylethoxy)-

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Name

Benzaldehyde,4-(2-oxo-2-phenylethoxy)-

EINECS N/A
CAS No. 139484-40-5 Density 1.195g/cm3
PSA 43.37000 LogP 2.76080
Solubility N/A Melting Point N/A
Formula C15H12O3 Boiling Point 429 °C at 760 mmHg
Molecular Weight 240.258 Flash Point 193 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 139484-40-5 (4-(2-OXO-2-PHENYLETHOXY)BENZALDEHYDE) Hazard Symbols N/A
Synonyms

4-(2-oxo-2-phenylethoxy)benzaldehyde(SALTDATA: FREE)

Article Data 9

Benzaldehyde,4-(2-oxo-2-phenylethoxy)- 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

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