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6853-57-2

6853-57-2 structural image
Product Name: 4-N-PENTYLBENZALDEHYDE
Formula: C12H16O
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1476 1476 1476 1463 1471.1

COMPUTED DESCRIPTORS

Molecular Weight 176.25 g/mol
XLogP3 3.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 5
Exact Mass 176.120115130 g/mol
Monoisotopic Mass 176.120115130 g/mol
Topological Polar Surface Area 17.1 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 134
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