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129212-21-1

129212-21-1 structural image
Product Name: (3S,5S)-(+)-3,5-HEPTANEDIOL
Formula: C7H16O2
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COMPUTED DESCRIPTORS

Molecular Weight 132.20 g/mol
XLogP3 1.1
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 4
Exact Mass 132.115029749 g/mol
Monoisotopic Mass 132.115029749 g/mol
Topological Polar Surface Area 40.5 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 55.9
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes