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288839-72-5

288839-72-5 structural image
Product Name: 1-Isoquinolineacetic acid,1,2,3,4-tetrahydro-,ethyl ester,(1S)-
Formula: C13H17NO2
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COMPUTED DESCRIPTORS

Molecular Weight 219.28 g/mol
XLogP3 1.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 219.125928785 g/mol
Monoisotopic Mass 219.125928785 g/mol
Topological Polar Surface Area 38.3 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 242
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes