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22975-58-2

22975-58-2 structural image
Product Name: 1-(1-ETHYL-PROPYL)-4-METHYL-BENZENE
Formula: C12H18
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1225.3 1227.1

COMPUTED DESCRIPTORS

Molecular Weight 162.27 g/mol
XLogP3 4.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 3
Exact Mass 162.140850574 g/mol
Monoisotopic Mass 162.140850574 g/mol
Topological Polar Surface Area 0 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 105
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