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111478-84-3

111478-84-3 structural image
Product Name: 1,8-Diethyl-1,3,4,9-tetrahydro-4-oxo-pyrano[3,4-b]indole-1-acetic Acid Methyl Ester
Formula: C18H21NO4
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COMPUTED DESCRIPTORS

Molecular Weight 315.4 g/mol
XLogP3 2.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 5
Exact Mass 315.14705815 g/mol
Monoisotopic Mass 315.14705815 g/mol
Topological Polar Surface Area 68.4 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 480
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