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142801-72-7

142801-72-7 structural image
Product Name: 1-Isoquinolineacetic acid,1,2,3,4-tetrahydro-6-methoxy-,1,1-dimethylethyl ester,(S)- (9CI)
Formula: C16H23NO3
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COMPUTED DESCRIPTORS

Molecular Weight 277.36 g/mol
XLogP3 2.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 5
Exact Mass 277.16779360 g/mol
Monoisotopic Mass 277.16779360 g/mol
Topological Polar Surface Area 47.6 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 337
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