CAS No.90915-86-9,N-(2-Nitrophenyl)-3-oxobutanamide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	90915-86-9
Name:	N-(2-Nitrophenyl)-3-oxobutanamide
Article Data:	11

Formula:	C₁₀H₁₀N₂O₄
Molecular Weight:	222.2
Synonyms:	Acetoacetanilide,2'-nitro- (6CI,7CI);NSC 632230;
Density:	1.35 g/cm³
Boiling Point:	447.8 °C at 760 mmHg
Flash Point:	224.6 °C
PSA:	91.99000
LogP:	2.10860

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Specification

The N-(2-Nitrophenyl)-3-oxobutanamide, with CAS registry number 90915-86-9, has the systematic name of N-(2-nitrophenyl)-3-oxobutanamide. Beside this, it is also called butanamide, N-(2-nitrophenyl)-3-oxo-. And the chemical formula of this chemical is C₁₀H₁₀N₂O₄.

Physical properties of N-(2-Nitrophenyl)-3-oxobutanamide: (1)ACD/LogP: 0.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.77; (4)ACD/LogD (pH 7.4): 0.77; (5)ACD/BCF (pH 5.5): 2.25; (6)ACD/BCF (pH 7.4): 2.25; (7)ACD/KOC (pH 5.5): 62.18; (8)ACD/KOC (pH 7.4): 62.08; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 83.2 Å²; (13)Index of Refraction: 1.601; (14)Molar Refractivity: 56.36 cm³; (15)Molar Volume: 164.4 cm³; (16)Polarizability: 22.34×10^-24cm³; (17)Surface Tension: 56.5 dyne/cm; (18)Enthalpy of Vaporization: 70.62 kJ/mol; (19)Vapour Pressure: 3.27E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1ccccc1[N+]([O-])=O)CC(=O)C
(2)InChI: InChI=1/C10H10N2O4/c1-7(13)6-10(14)11-8-4-2-3-5-9(8)12(15)16/h2-5H,6H2,1H3,(H,11,14)
(3)InChIKey: ZBRNSHANCDLJAA-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C10H10N2O4/c1-7(13)6-10(14)11-8-4-2-3-5-9(8)12(15)16/h2-5H,6H2,1H3,(H,11,14)
(5)Std. InChIKey: ZBRNSHANCDLJAA-UHFFFAOYSA-N