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5345-35-7

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Basic Information
CAS No.: 5345-35-7
Name: diethyl ethyl[2-(4-nitrophenyl)ethyl]propanedioate
Molecular Structure:
Molecular Structure of 5345-35-7 (diethyl ethyl[2-(4-nitrophenyl)ethyl]propanedioate)
Formula: C17H23NO6
Molecular Weight: 337.373
Synonyms: NSC 3031;Ethyl(p-nitrophenethyl)malonic acid, diethyl ester;
Density: 1.164 g/cm3
Boiling Point: 443.8 °C at 760 mmHg
Flash Point: 165 °C
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    5345-35-7

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    Propanedioic acid,ethyl[2-(4-nitrophenyl)ethyl]-, diethyl ester (9CI)

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  • Propanedioic acid,ethyl[2-(4-nitrophenyl)ethyl]-, diethyl ester (9CI) cas 5345-35-7

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    Propanedioic acid,ethyl[2-(4-nitrophenyl)ethyl]-, diethyl ester (9CI) cas 5345-35-7

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    Propanedioic acid,ethyl[2-(4-nitrophenyl)ethyl]-, diethyl ester (9CI) cas 5345-35-7Appearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by expre

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Specification

The Propanedioic acid, ethyl[2-(4-nitrophenyl)ethyl]-, diethyl ester (9CI), with the CAS registry number 5345-35-7, is also known as Ethyl(p-nitrophenethyl)malonic acid, diethyl ester. This chemical's molecular formula is C17H23NO6 and molecular weight is 337.3676. What's more, its IUPAC name is Diethyl 2-ethyl-2-[2-(4-nitrophenyl)ethyl]propanedioate.

Physical properties about Propanedioic acid, ethyl[2-(4-nitrophenyl)ethyl]-, diethyl ester (9CI) are: (1)ACD/LogP: 3.86; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 7; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 11; (6)Polar Surface Area: 98.42 Å2; (7)Index of Refraction: 1.516; (8)Molar Refractivity: 87.55 cm3; (9)Molar Volume: 289.6 cm3; (10)Polarizability: 34.71×10-24 cm3; (11)Surface Tension: 43 dyne/cm; (12)Density: 1.164 g/cm3; (13)Flash Point: 165 °C; (14)Enthalpy of Vaporization: 70.15 kJ/mol; (15)Boiling Point: 443.8 °C at 760 mmHg; (16)Vapour Pressure: 4.49E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1ccc(cc1)CCC(C(=O)OCC)(C(=O)OCC)CC
(2) InChI: InChI=1/C17H23NO6/c1-4-17(15(19)23-5-2,16(20)24-6-3)12-11-13-7-9-14(10-8-13)18(21)22/h7-10H,4-6,11-12H2,1-3H3
(3) InChIKey: VXXCWJCHGUMBET-UHFFFAOYAQ