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39757-36-3

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Basic Information
CAS No.: 39757-36-3
Name: METHYL 4-(4-NITROPHENYL)-2,4-DIOXOBUTANOATE
Article Data: 7
Molecular Structure:
Molecular Structure of 39757-36-3 (METHYL 4-(4-NITROPHENYL)-2,4-DIOXOBUTANOATE)
Formula: C11H9NO6
Molecular Weight: 251.196
Synonyms: (4-Nitrobenzoyl)pyruvicacid methyl ester;Methyl (4-nitrobenzoyl)pyruvate;Methyl(p-nitrobenzoyl)pyruvate;NSC 208709;
Density: 1.373 g/cm3
Boiling Point: 414.1 °C at 760 mmHg
Flash Point: 193.5 °C
PSA: 106.26000
LogP: 1.43290
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Specification

The CAS register number of Benzenebutanoic acid,4-nitro-a,g-dioxo-, methyl ester is 39757-36-3. It also can be called as (4-Nitrobenzoyl)pyruvicacid methyl ester and the systematic name about this chemical is methyl 4-(4-nitrophenyl)-2,4-dioxobutanoate. The molecular formula about this chemical is C11H9NO6 and the molecular weight is 251.19.

Physical properties about Benzenebutanoic acid,4-nitro-a,g-dioxo-, methyl ester are: (1)ACD/LogP: 0.75; (2)#H bond acceptors: 7; (3)#Freely Rotating Bonds: 6; (4)Polar Surface Area: 106.26Å2; (5)Index of Refraction: 1.552; (6)Molar Refractivity: 58.52 cm3; (7)Molar Volume: 182.9 cm3; (8)Polarizability: 23.2x10-24cm3; (9)Surface Tension: 54.5 dyne/cm; (10)Flash Point: 193.5 °C; (11)Enthalpy of Vaporization: 66.7 kJ/mol; (12)Boiling Point: 414.1 °C at 760 mmHg; (13)Vapour Pressure: 4.55E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1ccc(C(=O)CC(=O)C(=O)OC)cc1
(2)InChI: InChI=1/C11H9NO6/c1-18-11(15)10(14)6-9(13)7-2-4-8(5-3-7)12(16)17/h2-5H,6H2,1H3
(3)InChIKey: WKRICHRWYJZLCY-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C11H9NO6/c1-18-11(15)10(14)6-9(13)7-2-4-8(5-3-7)12(16)17/h2-5H,6H2,1H3
(5)Std. InChIKey: WKRICHRWYJZLCY-UHFFFAOYSA-N