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387353-77-7

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Basic Information
CAS No.: 387353-77-7
Name: Aliskiren inter-11
Article Data: 6
Molecular Structure:
Molecular Structure of 387353-77-7 (Aliskiren inter-11)
Formula: C9H15 Cl O2
Molecular Weight: 190.67
Synonyms: Methyl(2S,4E)-5-chloro-2-isopropylpent-4-enoate
Density: 1.023
Boiling Point: 203 ºC
Flash Point: 77 ºC
PSA: 26.30000
LogP: 2.57420
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Chemistry

The Molecular Structure of  Methyl (2S,4E)-5-chloro-2-isopropylpent-4-enoate (CAS NO.387353-77-7) is

Cas Register Number: 387353-77-7
Synonyms:  Aliskiren inter-11 ;  4-Pentenoic acid, 5-chloro-2-(1-methylethyl)-, methyl ester, (2S,4E)- ; Methyl (2S,4E)-5-chloro-2-isopropylpent-4-enoate
Molecular Formula: C9H15ClO2
Molecular Weight: 190.67g/mol
Boiling point: 203 ºC
Flash point: 77 ºC
Systematic Name:  Methyl (2S,4E)-5-chloro-2-(1-methylethyl)pent-4-enoate 
SMILES: Cl[C@H]=CC[C@H](C(=O)OC)C(C)C
InChI: InChI=1/C9H15ClO2/c1-7(2)8(5-4-6-10)9(11)12-3/h4,6-8H,5H2,1-3H3/b6-4+/t8-/m0/s1
InChIKey: BHFJTVFRXXWPLV-JQTRYQTABF
Std. InChI: InChI=1S/C9H15ClO2/c1-7(2)8(5-4-6-10)9(11)12-3/h4,6-8H,5H2,1-3H3/b6-4+/t8-/m0/s1
Std. InChIKey: BHFJTVFRXXWPLV-JQTRYQTASA-N
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 5
Polar Surface Area: 26.3 Å2
Index of Refraction: 1.453
Molar Refractivity: 50.344 cm3
Molar Volume: 186.331 cm3
Surface Tension: 29.805 dyne/cm
Density: 1.023 g/cm3 
Enthalpy of Vaporization: 43.948 kJ/mol
Vapour Pressure of  Methyl (2S,4E)-5-chloro-2-isopropylpent-4-enoate (CAS NO.387353-77-7): 0.28 mmHg at 25°C