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1396999-04-4

1396999-04-4 structural image
Product Name: 3-HYDROXY-2-(2-ISOPROPOXY-BENZOYLAMINO)-PROPIONIC ACID
Formula: C13H17NO5
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COMPUTED DESCRIPTORS

Molecular Weight 267.28 g/mol
XLogP3 0.9
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 6
Exact Mass 267.11067264 g/mol
Monoisotopic Mass 267.11067264 g/mol
Topological Polar Surface Area 95.9 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 318
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