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4906-25-6

4906-25-6 structural image
Product Name: METHYL 4-N-BUTOXYBENZOATE
Formula: C12H16O3
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1872 1875 1879 1884

COMPUTED DESCRIPTORS

Molecular Weight 208.25 g/mol
XLogP3 3.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 6
Exact Mass 208.109944368 g/mol
Monoisotopic Mass 208.109944368 g/mol
Topological Polar Surface Area 35.5 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 183
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