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29211-68-5

29211-68-5 structural image
Product Name: 3-TERT-BUTYL-2-PYRAZOLIN-5-ONE
Formula: C7H12N2O
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COMPUTED DESCRIPTORS

Molecular Weight 140.18 g/mol
XLogP3 0.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 140.094963011 g/mol
Monoisotopic Mass 140.094963011 g/mol
Topological Polar Surface Area 41.5 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 188
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

PRODUCT INTRODUCTION

description

3-(Tert-butyl)-4,5-dihydro-1H-pyrazol-5-one is an organonitrogen heterocyclic compound.