CAS No.10565-13-6,DIETHYL 4-NITROPHENYL MALONATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	10565-13-6
Name:	DIETHYL 4-NITROPHENYL MALONATE
Article Data:	11

Formula:	C₁₃H₁₅NO₆
Molecular Weight:	281.265
Synonyms:	Diethyl(p-nitrophenyl)malonate;Diethyl 2-(4-nitrophenyl)malonate;Diethyl2-(p-nitrophenyl)malonate;Malonicacid, (p-nitrophenyl)-, diethyl ester (7CI,8CI);Propanedioic acid,(4-nitrophenyl)-, diethyl ester (9CI);Diethyl (4-nitrophenyl)malonate;
Density:	1.253 g/cm³
Melting Point:	58-59℃
Boiling Point:	381.1 °C at 760 mmHg
Flash Point:	154.1 °C
PSA:	98.42000
LogP:	2.32780

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Specification

This chemical is called Propanedioic acid, 2-(4-nitrophenyl)-, 1,3-diethyl ester, and its systematic name is diethyl (4-nitrophenyl)propanedioate. With the molecular formula of C₁₃H₁₅NO₆, its molecular weight is 281.26. The CAS registry number of this chemical is 10565-13-6.

Other characteristics of the Propanedioic acid, 2-(4-nitrophenyl)-, 1,3-diethyl ester can be summarised as followings: (1)ACD/LogP: 2.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.44; (4)ACD/LogD (pH 7.4): 2.43; (5)ACD/BCF (pH 5.5): 41.79; (6)ACD/BCF (pH 7.4): 41.69; (7)ACD/KOC (pH 5.5): 503.46; (8)ACD/KOC (pH 7.4): 502.31; (9)#H bond acceptors: 7; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 98.42 Å²; (13)Index of Refraction: 1.527; (14)Molar Refractivity: 69.06 cm³; (15)Molar Volume: 224.3 cm³; (16)Polarizability: 27.37×10^-24cm³; (17)Surface Tension: 46.6 dyne/cm; (18)Density: 1.253 g/cm³; (19)Flash Point: 154.1 °C; (20)Enthalpy of Vaporization: 62.93 kJ/mol; (21)Boiling Point: 381.1 °C at 760 mmHg; (22)Vapour Pressure: 5.21E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCC)C(C(=O)OCC)c1ccc(cc1)[N+]([O-])=O
2.InChI: InChI=1/C13H15NO6/c1-3-19-12(15)11(13(16)20-4-2)9-5-7-10(8-6-9)14(17)18/h5-8,11H,3-4H2,1-2H3
3.InChIKey: VTWDYQVTRGDDEE-UHFFFAOYAR