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7362-91-6

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Basic Information
CAS No.: 7362-91-6
Name: ethyl 3-(3-ethoxy-3-oxopropyl)-2-oxocyclopentanecarboxylate
Molecular Structure:
Molecular Structure of 7362-91-6 (ethyl 3-(3-ethoxy-3-oxopropyl)-2-oxocyclopentanecarboxylate)
Formula: C13H20O5
Molecular Weight: 256.299
Synonyms: Cyclopentanepropionicacid, 3-carboxy-2-oxo-, diethyl ester (7CI,8CI);NSC 125575;
Density: 1.114 g/cm3
Boiling Point: 341.6 °C at 760 mmHg
Flash Point: 147.9 °C
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  • ethyl 3-(3-ethoxy-3-oxopropyl)-2-oxocyclopentane-1-carboxylate

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Specification

This chemical is called Ethyl 3-(3-ethoxy-3-oxopropyl)-2-oxocyclopentanecarboxylate, and its IUPAC name is ethyl 3-(3-ethoxy-3-oxopropyl)-2-oxocyclopentane-1-carboxylate. With the molecular formula of C13H20O5, its molecular weight is 256.30. The CAS registry number of this chemical is 7362-91-6.

Other characteristics of the Ethyl 3-(3-ethoxy-3-oxopropyl)-2-oxocyclopentanecarboxylate can be summarised as followings: (1)ACD/LogP: 1.00; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 69.67 Å2; (7)Index of Refraction: 1.466; (8)Molar Refractivity: 63.77 cm3; (9)Molar Volume: 229.9 cm3; (10)Polarizability: 25.28×10-24cm3; (11)Surface Tension: 38.6 dyne/cm; (12)Density: 1.114 g/cm3; (13)Flash Point: 147.9 °C; (14)Enthalpy of Vaporization: 58.53 kJ/mol; (15)Boiling Point: 341.6 °C at 760 mmHg; (16)Vapour Pressure: 7.96E-05 mmHg at 25°C. 

You can still convert the following datas into molecular structure: 
1.SMILES: O=C1C(CCC(=O)OCC)CCC1C(=O)OCC
2.InChI: InChI=1/C13H20O5/c1-3-17-11(14)8-6-9-5-7-10(12(9)15)13(16)18-4-2/h9-10H,3-8H2,1-2H3
3.InChIKey: SCBMTIWAAWXRCL-UHFFFAOYAK