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18818-30-9

18818-30-9 structural image
Product Name: 1-(4-Methyl-1H-pyrrol-3-yl)ethanone
Formula: C7H9NO
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COMPUTED DESCRIPTORS

Molecular Weight 123.15 g/mol
XLogP3 0.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 1
Exact Mass 123.068413911 g/mol
Monoisotopic Mass 123.068413911 g/mol
Topological Polar Surface Area 32.9 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 122
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-(4-methyl-1H-pyrrol-3-yl)ethanone is a natural product found in Penicillium citreonigrum with data available.