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73323-68-9

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Basic Information
CAS No.: 73323-68-9
Name: N-(3-oxopropyl)acetamide
Article Data: 6
Molecular Structure:
Molecular Structure of 73323-68-9 (N-(3-oxopropyl)acetamide)
Formula: C5H9NO2
Molecular Weight: 115.132
Synonyms: 3-Acetamidopropanal;
Density: 1.007 g/cm3
Boiling Point: 300.722 °C at 760 mmHg
Flash Point: 153.661 °C
PSA: 49.66000
LogP: 0.55180
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Specification

The N-(3-Oxopropyl)acetamide, with the CAS registry number 73323-68-9, is also known as 3-Acetamidopropanal. This chemical's molecular formula is C5H9NO2 and molecular weight is 115.13. What's more, its systematic name is (2S,4R)-4-Hydroxy-1-[(2S)-2-pyrrolidiniumylcarbonyl]-2-pyrrolidinecarboxylate.

Physical properties of N-(3-Oxopropyl)acetamide are: (1)ACD/LogP: -1.092; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.09; (4)ACD/LogD (pH 7.4): -1.09; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 6.07; (8)ACD/KOC (pH 7.4): 6.07; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.17 Å2; (13)Index of Refraction: 1.422; (14)Molar Refractivity: 29.025 cm3; (15)Molar Volume: 114.324 cm3; (16)Polarizability: 11.506×10-24cm3; (17)Surface Tension: 32.5 dyne/cm; (18)Density: 1.007 g/cm3; (19)Flash Point: 153.661 °C; (20)Enthalpy of Vaporization: 54.081 kJ/mol; (21)Boiling Point: 300.722 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=CCCNC(=O)C
(2)Std. InChI: InChI=1S/C5H9NO2/c1-5(8)6-3-2-4-7/h4H,2-3H2,1H3,(H,6,8)
(3)Std. InChIKey: ARJPPNFIEQKVBB-UHFFFAOYSA-N