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35048-56-7

35048-56-7 structural image
Product Name: (2-OXOAZEPAN-1-YL)ACETIC ACID
Formula: C8H13NO3
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility >25.7 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 171.19 g/mol
XLogP3 0.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 171.08954328 g/mol
Monoisotopic Mass 171.08954328 g/mol
Topological Polar Surface Area 57.6 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 191
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