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813-60-5

813-60-5 structural image
Product Name: 2-methyl-2-(1-methylpropyl)propane-1,3-diol
Formula: C8H18O2
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COMPUTED DESCRIPTORS

Molecular Weight 146.23 g/mol
XLogP3 1.4
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 4
Exact Mass 146.130679813 g/mol
Monoisotopic Mass 146.130679813 g/mol
Topological Polar Surface Area 40.5 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 87.3
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