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387876-60-0

387876-60-0 structural image
Product Name: 3-FORMYL-2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINE-7-CARBOXYLIC ACID
Formula: C12H13NO3
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COMPUTED DESCRIPTORS

Molecular Weight 219.24 g/mol
XLogP3 1.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 219.08954328 g/mol
Monoisotopic Mass 219.08954328 g/mol
Topological Polar Surface Area 57.6 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 279
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