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4454-18-6

4454-18-6 structural image
Product Name: 2,5-DIMETHYLHEXANEDIOIC ACID
Formula: C8H14O4
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COMPUTED DESCRIPTORS

Molecular Weight 174.19 g/mol
XLogP3 1.1
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 5
Exact Mass 174.08920892 g/mol
Monoisotopic Mass 174.08920892 g/mol
Topological Polar Surface Area 74.6 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 156
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes