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CAS No.: | 142733-60-6 |
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Name: | diethyl 7-phenyl-6,8-dioxaspiro[3.5]nonane-2,2-dicarboxylate |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C19H24O6 |
Molecular Weight: | 348.396 |
Synonyms: | 6,8-Dioxaspiro[3.5]nonane-2,2-dicarboxylicacid, 7-phenyl-, diethyl ester (9CI);Diethyl7-phenyl-6,8-dioxaspiro[3.5]nonane-2,2-dicarboxylate;NSC 139990; |
Density: | 1.22 g/cm3 |
Boiling Point: | 436.3 °C at 760 mmHg |
Flash Point: | 189.6 °C |
PSA: | 71.06000 |
LogP: | 2.62480 |
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This chemical is called 6,8-Dioxaspiro[3.5]nonane-2,2-dicarboxylicacid, 7-phenyl-, 2,2-diethyl ester, and its systematic name is diethyl 7-phenyl-6,8-dioxaspiro[3.5]nonane-2,2-dicarboxylate. With the molecular formula of C19H24O6, its molecular weight is 348.39. The CAS registry number of this chemical is 142733-60-6.
Other characteristics of the 6,8-Dioxaspiro[3.5]nonane-2,2-dicarboxylicacid, 7-phenyl-, 2,2-diethyl ester can be summarised as followings: (1)ACD/LogP: 3.70; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 71.06 Å2; (7)Index of Refraction: 1.544; (8)Molar Refractivity: 90.05 cm3; (9)Molar Volume: 285.2 cm3; (10)Polarizability: 35.7×10-24cm3; (11)Surface Tension: 47.2 dyne/cm; (12)Density: 1.22 g/cm3; (13)Flash Point: 189.6 °C; (14)Enthalpy of Vaporization: 69.27 kJ/mol; (15)Boiling Point: 436.3 °C at 760 mmHg; (16)Vapour Pressure: 8.21E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCC)C1(C(=O)OCC)CC2(C1)COC(OC2)c3ccccc3
2.InChI: InChI=1/C19H24O6/c1-3-22-16(20)19(17(21)23-4-2)10-18(11-19)12-24-15(25-13-18)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3 3.InChIKey: ULSMYZADTHVDKB-UHFFFAOYAR