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1020722-56-8

1020722-56-8 structural image
Product Name: 1-ETHYL-3-(2-METHYLPROPYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
Formula: C12H20N2O2
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COMPUTED DESCRIPTORS

Molecular Weight 224.30 g/mol
XLogP3 2.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 6
Exact Mass 224.152477885 g/mol
Monoisotopic Mass 224.152477885 g/mol
Topological Polar Surface Area 44.1 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 231
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