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111599-06-5

111599-06-5 structural image
Product Name: (7-HYDROXY-6-METHOXY-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-1-YL)-ACETIC ACID
Formula: C12H15NO4
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COMPUTED DESCRIPTORS

Molecular Weight 237.25 g/mol
XLogP3 -1.8
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 237.10010796 g/mol
Monoisotopic Mass 237.10010796 g/mol
Topological Polar Surface Area 78.8 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 284
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