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233272-35-0

233272-35-0 structural image
Product Name: 5-NITRO-1,2,3,4-TETRAHYDRO-3-ISOQUINOLINECARBOXYLIC ACID
Formula: C10H10N2O4
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COMPUTED DESCRIPTORS

Molecular Weight 222.20 g/mol
XLogP3 -1.5
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 1
Exact Mass 222.06405680 g/mol
Monoisotopic Mass 222.06405680 g/mol
Topological Polar Surface Area 95.2 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 302
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