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87953-16-0

87953-16-0 structural image
Product Name: 4-Pentenoic acid, 5-chloro-2-(1-methylethyl)-, (4E)-
Formula: C8H13ClO2
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COMPUTED DESCRIPTORS

Molecular Weight 176.64 g/mol
XLogP3 2.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 4
Exact Mass 176.0604073 g/mol
Monoisotopic Mass 176.0604073 g/mol
Topological Polar Surface Area 37.3 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 152
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes