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645-14-7

645-14-7 structural image
Product Name: (1H-IMIDAZOL-4-YL)-ACETALDEHYDE
Formula: C5H6N2O
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
LogP 0.388

COMPUTED DESCRIPTORS

Molecular Weight 110.11 g/mol
XLogP3 -0.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 2
Exact Mass 110.048012819 g/mol
Monoisotopic Mass 110.048012819 g/mol
Topological Polar Surface Area 45.8 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 84.5
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

Imidazole-4-acetaldehyde is an alpha-CH2-containing aldehyde and an imidazolylacetaldehyde. It has a role as a human metabolite and a mouse metabolite.