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5440-23-3

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Basic Information
CAS No.: 5440-23-3
Name: N-(1-Acetyl-2-Oxopropyl) Acetamide
Molecular Structure:
Molecular Structure of 5440-23-3 (N-(1-Acetyl-2-Oxopropyl) Acetamide)
Formula: C7H11NO3
Molecular Weight: 157.169
Synonyms: Acetamide,N-(1-acetylacetonyl)- (6CI,7CI);NSC 20134;N-(2,4-Dioxopentan-3-yl)acetamide;N-(1-Acetyl-2-keto-propyl)acetamide;N-(2,4-Dioxopentan-3-yl)ethanamide;
Density: 1.086 g/cm3
Melting Point: 93-94 °C
Boiling Point: 330.6 °C at 760 mmHg
Flash Point: 154.2 °C
PSA: 63.24000
LogP: 0.06000
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Specification

The Acetamide,N-(1-acetyl-2-oxopropyl)-, with the CAS registry number 5440-23-3, is also known as N-(1-Acetyl-2-keto-propyl)acetamide. This chemical's molecular formula is C7H11NO3 and molecular weight is 157.17. What's more, its systematic name is N-(2,4-Dioxopentan-3-yl)acetamide.

Physical properties of Acetamide,N-(1-acetyl-2-oxopropyl)- are: (1)ACD/LogP: 0.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.86; (4)ACD/LogD (pH 7.4): 0.86; (5)ACD/BCF (pH 5.5): 2.67; (6)ACD/BCF (pH 7.4): 2.66; (7)ACD/KOC (pH 5.5): 70.33; (8)ACD/KOC (pH 7.4): 70.02; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 54.45 Å2; (13)Index of Refraction: 1.44; (14)Molar Refractivity: 38.12 cm3; (15)Molar Volume: 144.6 cm3; (16)Polarizability: 15.11×10-24 cm3; (17)Surface Tension: 34.7 dyne/cm; (18)Density: 1.086 g/cm3; (19)Flash Point: 154.2 °C; (20)Enthalpy of Vaporization: 57.32 kJ/mol; (21)Boiling Point: 330.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000164 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C(C(=O)C)NC(=O)C)C
(2)InChI: InChI=1S/C7H11NO3/c1-4(9)7(5(2)10)8-6(3)11/h7H,1-3H3,(H,8,11)
(3)InChIKey: BIEMZNVEFSZYKS-UHFFFAOYSA-N