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885273-79-0

885273-79-0 structural image
Product Name: 7-ETHOXYCARBONYLAMINO-1-OXO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE
Formula: C12H14N2O3
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COMPUTED DESCRIPTORS

Molecular Weight 234.25 g/mol
XLogP3 1.2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 234.10044231 g/mol
Monoisotopic Mass 234.10044231 g/mol
Topological Polar Surface Area 67.4 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 306
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 1
Compound Is Canonicalized Yes