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2468-89-5

2468-89-5 structural image
Product Name: Isoquinoline,1,2,3,4-tetrahydro-5,6,7-trimethoxy-, hydrochloride (1:1)
Formula: C12H18ClNO3
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COMPUTED DESCRIPTORS

Molecular Weight 259.73 g/mol
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 259.0975211 g/mol
Monoisotopic Mass 259.0975211 g/mol
Topological Polar Surface Area 39.7 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 224
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 2
Compound Is Canonicalized Yes