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150667-24-6

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Basic Information
CAS No.: 150667-24-6
Name: 4-Acetamidoacetophenone
Molecular Structure:
Molecular Structure of 150667-24-6 (4-Acetamidoacetophenone)
Formula: C10H11NO2
Molecular Weight: 177.203
Synonyms: 4'-Acetylacetanilidecation radical;N-(4-acetylphenyl)acetamide;
Density: 1.15 g/cm3
Boiling Point: 390.3 °C at 760 mmHg
Flash Point: 177.3 °C
PSA: 46.17000
LogP: 1.92060
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Specification

The 4-Acetamidoacetophenone, with the CAS registry number 150667-24-6, has the systematic name of N-(4-acetylphenyl)acetamide. It should be stored at dry and cool environment. And the molecular formula of the chemical is C10H11NO2.

The characteristics of 4-Acetamidoacetophenone are as followings: (1)ACD/LogP: 1.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.24; (4)ACD/LogD (pH 7.4): 1.24; (5)ACD/BCF (pH 5.5): 5.15; (6)ACD/BCF (pH 7.4): 5.15; (7)ACD/KOC (pH 5.5): 112.48; (8)ACD/KOC (pH 7.4): 112.48; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 37.38 Å2; (13)Index of Refraction: 1.57; (14)Molar Refractivity: 50.55 cm3; (15)Molar Volume: 154 cm3; (16)Polarizability: 20.04×10-24cm3; (17)Surface Tension: 43.7 dyne/cm; (18)Density: 1.15 g/cm3; (19)Flash Point: 177.3 °C; (20)Enthalpy of Vaporization: 63.98 kJ/mol; (21)Boiling Point: 390.3 °C at 760 mmHg; (22)Vapour Pressure: 2.67E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(Nc1ccc(cc1)C(=O)C)C
(2)InChI: InChI=1/C10H11NO2/c1-7(12)9-3-5-10(6-4-9)11-8(2)13/h3-6H,1-2H3,(H,11,13)
(3)InChIKey: WECHHDJTILFYQT-UHFFFAOYAN