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5837-72-9

5837-72-9 structural image
Product Name: FUMARALDEHYDIC ACID METHYL ESTER
Formula: C5H6O3
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COMPUTED DESCRIPTORS

Molecular Weight 114.10 g/mol
XLogP3 -0.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 114.031694049 g/mol
Monoisotopic Mass 114.031694049 g/mol
Topological Polar Surface Area 43.4 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 115
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes