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2894-18-0

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Basic Information
CAS No.: 2894-18-0
Name: 3,4,5-TRIMETHOXY-ACETOACETANILIDE
Molecular Structure:
Molecular Structure of 2894-18-0 (3,4,5-TRIMETHOXY-ACETOACETANILIDE)
Formula: C13H17NO5
Molecular Weight: 267.282
Synonyms: Acetoacetanilide,3',4',5'-trimethoxy- (7CI,8CI);NSC 163066;
Density: 1.189 g/cm3
Boiling Point: 440.7 °C at 760 mmHg
Flash Point: 220.3 °C
PSA: 73.86000
LogP: 1.70300
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Specification

The Butanamide,3-oxo-N-(3,4,5-trimethoxyphenyl)-, with the CAS registry number 2894-18-0, has the molecular formula C13H17NO5. Besides, its molecular weight is 267.2778. Its systematic name is called 3-oxo-N-(3,4,5-trimethoxyphenyl)butanamide.

Physical properties of Butanamide,3-oxo-N-(3,4,5-trimethoxyphenyl)-: (1)ACD/LogP: 0.89; (2)ACD/LogD (pH 5.5): 0.89; (3)ACD/LogD (pH 7.4): 0.89; (4)ACD/BCF (pH 5.5): 2.8; (5)ACD/BCF (pH 7.4): 2.77; (6)ACD/KOC (pH 5.5): 72.67; (7)ACD/KOC (pH 7.4): 71.91; (8)#H bond acceptors: 6; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 6; (11)Index of Refraction: 1.534; (12)Molar Refractivity: 69.85 cm3; (13)Molar Volume: 224.6 cm3; (14)Surface Tension: 40.1 dyne/cm; (15)Density: 1.189 g/cm3; (16)Flash Point: 220.3 °C; (17)Enthalpy of Vaporization: 69.78 kJ/mol; (18)Boiling Point: 440.7 °C at 760 mmHg; (19)Vapour Pressure: 5.79E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C)CC(=O)Nc1cc(OC)c(OC)c(OC)c1
(2)InChI: InChI=1/C13H17NO5/c1-8(15)5-12(16)14-9-6-10(17-2)13(19-4)11(7-9)18-3/h6-7H,5H2,1-4H3,(H,14,16)
(3)InChIKey: KOEZBVSSFMOARF-UHFFFAOYAL