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626-95-9

626-95-9 structural image
Product Name: 1,4-PENTANEDIOL
Formula: C5H12O2
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COMPUTED DESCRIPTORS

Molecular Weight 104.15 g/mol
XLogP3 0
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 3
Exact Mass 104.083729621 g/mol
Monoisotopic Mass 104.083729621 g/mol
Topological Polar Surface Area 40.5 Ų
Heavy Atom Count 7
Formal Charge 0
Complexity 37.1
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes