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79100-16-6

79100-16-6 structural image
Product Name: METHYL 2-(2-FORMYL-1H-PYRROL-1-YL)BENZOATE
Formula: C13H11NO3
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COMPUTED DESCRIPTORS

Molecular Weight 229.23 g/mol
XLogP3 2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 229.07389321 g/mol
Monoisotopic Mass 229.07389321 g/mol
Topological Polar Surface Area 48.3 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 292
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