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103604-53-1

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Basic Information
CAS No.: 103604-53-1
Name: 3' 5'-DIETHOXYACETOPHENONE 99
Molecular Structure:
Molecular Structure of 103604-53-1 (3' 5'-DIETHOXYACETOPHENONE 99)
Formula: C12H16O3
Molecular Weight: 208.25
Synonyms: 3',5'-Diethoxyacetophenone;
Density: 1.031 g/cm3
Melting Point: 64-67 °C
Boiling Point: 304.6 °C at 760 mmHg
Flash Point: 129 °C
PSA: 35.53000
LogP: 2.68660
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Specification

The Ethanone,1-(3,5-diethoxyphenyl)-, with the CAS registry number 103604-53-1, is also known as 3',5'-Diethoxyacetophenone. It belongs to the product categories of C11 to C12; Carbonyl Compounds; Ketones. This chemical's molecular formula is C12H16O3 and molecular weight is 208.25. What's more, its systematic name is 1-(3,5-Diethoxyphenyl)ethanone. Additionally, it should be preserved hermetically and put in a cool, dry place.

Physical properties about Ethanone,1-(3,5-diethoxyphenyl)-: (1)ACD/LogP: 2.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.96; (4)ACD/LogD (pH 7.4): 2.96; (5)ACD/BCF (pH 5.5): 104.37; (6)ACD/BCF (pH 7.4): 104.37; (7)ACD/KOC (pH 5.5): 969.4; (8)ACD/KOC (pH 7.4): 969.4; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.495; (14)Molar Refractivity: 58.9 cm3; (15)Molar Volume: 201.9 cm3; (16)Surface Tension: 33.3 dyne/cm; (17)Density: 1.031 g/cm3; (18)Flash Point: 129 °C; (19)Enthalpy of Vaporization: 54.5 kJ/mol; (20)Boiling Point: 304.6 °C at 760 mmHg; (21)Vapour Pressure: 0.000863 mmHg at 25 °C; (22)Melting point: 64-67 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1cc(OCC)cc(OCC)c1)C
(2) InChI: InChI=1/C12H16O3/c1-4-14-11-6-10(9(3)13)7-12(8-11)15-5-2/h6-8H,4-5H2,1-3H3
(3) InChIKey: KEJDYKMTNWEIAR-UHFFFAOYAI