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42781-12-4

42781-12-4 structural image
Product Name: 2-Propanone, 1-(1-methylethoxy)- (9CI)
Formula: C6H12O2
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COMPUTED DESCRIPTORS

Molecular Weight 116.16 g/mol
XLogP3 0.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 3
Exact Mass 116.083729621 g/mol
Monoisotopic Mass 116.083729621 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 76.6
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

1-isopropoxyacetone is a methyl ketone that is acetone substituted by an isopropoxy group at position 1. It has a role as a metabolite. It is a methyl ketone and an ether.