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N-BUTYL MANDELATE

N-BUTYL MANDELATE structure

N-BUTYL MANDELATE 

structure
  • CAS No:

    14007-02-4

  • Formula:

    C12H16O3

  • Chemical Name:

    N-BUTYL MANDELATE

  • Synonyms:

    N-BUTYL MANDELATE;Phenylhydroxyacetic acid butyl ester;α-Hydroxybenzeneacetic acid butyl ester;QLVXFMSPNHAPMO-UHFFFAOYSA-N;Butyl 2-hydroxy-2-phenylacetate;Benzeneacetic acid, α-hydroxy-, butyl ester

N-BUTYL MANDELATE Basic Attributes

208.25

208.25

237-810-0

406147

Colourless to Pale Yellow

Characteristics

46.5 Ų

162 °C @ Press: 24 Torr

N-BUTYL MANDELATE Use and Manufacturing

n-Butyl Mandelate is a compound used in the exploitation of cofactor versatility to convert a FAD-dependent Baeyer-Villager monooxygenase into a keto ketoreductase.

Computed Properties

Molecular Weight:208.25
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:208.109944368
Monoisotopic Mass:208.109944368
Topological Polar Surface Area:46.5
Heavy Atom Count:15
Complexity:185
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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