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148901-69-3

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Basic Information
CAS No.: 148901-69-3
Name: Ethyl (E)-7-[4-(4'-fluorophenyl)-2-(cyclopropyl)-3-quinolinyl]-5-hydroxy-3-oxo-6-heptenoate
Article Data: 4
Molecular Structure:
Molecular Structure of 148901-69-3 (Ethyl (E)-7-[4-(4'-fluorophenyl)-2-(cyclopropyl)-3-quinolinyl]-5-hydroxy-3-oxo-6-heptenoate)
Formula: C27H26FNO4
Molecular Weight: 447.506
Synonyms: 6-Heptenoicacid, 7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-5-hydroxy-3-oxo-, ethylester, (E)-;
EINECS: 604-664-8
Density: 1.268 g/cm3
Boiling Point: 651.3 °C at 760 mmHg
Flash Point: 347.7 °C
PSA: 76.49000
LogP: 5.20480
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Chemistry

Following is the structure of Ethyl (E)-7-[4-(4'-fluorophenyl)-2-(cyclopropyl)-3-quinolinyl]-5-hydroxy-3-oxo-6-heptenoate (CAS NO.148901-69-3):
                           
Empirical Formula: C27H26FNO4
Molecular Weight: 447.498 g/mol 
Molar Refractivity: 125.78 cm3
Molar Volume: 352.7 cm3 
Density: 1.268 g/cm3
Flash Point: 347.7 °C 
Index of Refraction: 1.631
Surface Tension: 54.2 dyne/cm
Enthalpy of Vaporization: 100.85 kJ/mol
Boiling Point of Ethyl (E)-7-[4-(4'-fluorophenyl)-2-(cyclopropyl)-3-quinolinyl]-5-hydroxy-3-oxo-6-heptenoate (CAS NO.148901-69-3): 651.3 °C at 760 mmHg
Vapour Pressure of Ethyl (E)-7-[4-(4'-fluorophenyl)-2-(cyclopropyl)-3-quinolinyl]-5-hydroxy-3-oxo-6-heptenoate (CAS NO.148901-69-3): 7.53E-18 mmHg at 25 °C
SMILES: CCOC(=O)CC(=O)CC(O)/C=C/c1c(c3ccccc3nc1C2CC2)c4ccc(F)cc4
InChI: InChI=1/C27H26FNO4/c1-2-33-25(32)16-21(31)15-20(30)13-14-23-26(17-9-11-19(28)12-10-17)22-5-3-4-6-24(22)29-27(23)18-7-8-18/h3-6,9-14,18,20,30H,2,7-8,15-16H2,1H3/b14-13+
InChIKey: DPBQVLWVWXLRGW-BUHFOSPRBG

Specification

 Ethyl (E)-7-[4-(4'-fluorophenyl)-2-(cyclopropyl)-3-quinolinyl]-5-hydroxy-3-oxo-6-heptenoate , its cas register number is 148901-69-3. It also can be called (E)-7-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-5-hydroxy-3-oxo-6-heptenoic acid ethyl ester .