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13794-14-4

13794-14-4 structural image
Product Name: 2-Phenoxybutyric acid
Formula: C10H12O3
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1450

COMPUTED DESCRIPTORS

Molecular Weight 180.20 g/mol
XLogP3 2.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 180.078644241 g/mol
Monoisotopic Mass 180.078644241 g/mol
Topological Polar Surface Area 46.5 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 162
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes