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76824-93-6

76824-93-6 structural image
Product Name: 1,2,3,4-TETRAHYDRO-7-HYDROXY-6-METHOXY-3-ISOQUINOLINE CARBOXYLIC ACID
Formula: C11H13NO4
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COMPUTED DESCRIPTORS

Molecular Weight 223.22 g/mol
XLogP3 -1.7
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 2
Exact Mass 223.08445790 g/mol
Monoisotopic Mass 223.08445790 g/mol
Topological Polar Surface Area 78.8 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 271
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