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Aliskiren inter-11

Aliskiren inter-11 structure

CAS No:
387353-77-7
Formula:
C9H15ClO2
Chemical Name:
Aliskiren inter-11
Synonyms:
Aliskiren inter-11;Methyl (2S,4E)-5-chloro-2-isopropylpent-4-enoate;(2S,4E)-5-Chloro-2-tert-butyl-4-pentenoic acid Methyl ester;(S,E)-Methyl 5-chloro-2-isopropylpent-4-enoate
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Aliskiren inter-11 Basic Attributes

Molecular Weight：

190.67

Exact Mass：

190.07600

Characteristics

PSA：

26.30000

XLogP3：

2.57420

Density：

1.023

Boiling Point：

203 ºC

Flash Point：

77 ºC

Refractive Index：

1.453

Computed Properties

Molecular Weight:190.67
XLogP3:2.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:190.0760574
Monoisotopic Mass:190.0760574
Topological Polar Surface Area:26.3
Heavy Atom Count:12
Complexity:164
Defined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes