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85237-85-0

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Basic Information
CAS No.: 85237-85-0
Name: 1-acetamido-2,4-dioxopentyl acetate
Molecular Structure:
Molecular Structure of 85237-85-0 (1-acetamido-2,4-dioxopentyl acetate)
Formula: C9H13NO5
Molecular Weight: 215.2032
Synonyms: 1-acetamido-2,4-dioxopentyl acetate;2-Acetyl-3,5-dioxohexanamide;Einecs 286-447-4
EINECS: 286-447-4
Density: 1.188 g/cm3
Boiling Point: 417.4 °C at 760 mmHg
Flash Point: 206.3 °C
PSA: 93.03000
LogP: 0.40020
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Specification

The CAS registry number of Hexanamide,2-acetyl-3,5-dioxo- is 85237-85-0. Its EINECS registry number is 286-447-4. This chemical's molecular formula is C9H13NO5 and molecular weight is 215.2032. What's more, both its IUPAC name and systematic name are the same which is called 1-(Acetylamino)-2,4-dioxopentyl acetate.

Physical properties about Hexanamide,2-acetyl-3,5-dioxo- are: (1)ACD/LogP: 2.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.1; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 23.4; (6)ACD/BCF (pH 7.4): 18.25; (7)ACD/KOC (pH 5.5): 332.06; (8)ACD/KOC (pH 7.4): 259; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 80.75 Å2; (13)Index of Refraction: 1.455; (14)Molar Refractivity: 49.16 cm3; (15)Molar Volume: 181.1 cm3; (16)Polarizability: 19.48×10-24 cm3; (17)Surface Tension: 39.9 dyne/cm; (18)Density: 1.188 g/cm3; (19)Flash Point: 206.3 °C; (20)Enthalpy of Vaporization: 67.08 kJ/mol; (21)Boiling Point: 417.4 °C at 760 mmHg; (22)Vapour Pressure: 3.54E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NC(OC(=O)C)C(=O)CC(=O)C)C
(2)InChI: InChI=1/C9H13NO5/c1-5(11)4-8(14)9(10-6(2)12)15-7(3)13/h9H,4H2,1-3H3,(H,10,12)
(3)InChIKey: CQCUYOGWLHGGOR-UHFFFAOYAQ