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641-91-8

641-91-8 structural image
Product Name: 1,2,5-TRIMETHYLNAPHTHALENE
Formula: C13H14
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1556 270.52 270.75 269.5 270 269.47

COMPUTED DESCRIPTORS

Molecular Weight 170.25 g/mol
XLogP3 4.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 0
Exact Mass 170.109550447 g/mol
Monoisotopic Mass 170.109550447 g/mol
Topological Polar Surface Area 0 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 173
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes