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6969-49-9

6969-49-9 structural image
Product Name: 2-Hydroxybenzoic acid octyl ester
Formula: C15H22O3
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1895 1895 1895

COMPUTED DESCRIPTORS

Molecular Weight 250.33 g/mol
XLogP3 6.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 9
Exact Mass 250.15689456 g/mol
Monoisotopic Mass 250.15689456 g/mol
Topological Polar Surface Area 46.5 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 228
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

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