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195991-40-3

195991-40-3 structural image
Product Name: 2,4-Heptadienal, 2-methyl-6-oxo- (9CI)
Formula: C8H10O2
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COMPUTED DESCRIPTORS

Molecular Weight 138.16 g/mol
XLogP3 0.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 3
Exact Mass 138.068079557 g/mol
Monoisotopic Mass 138.068079557 g/mol
Topological Polar Surface Area 34.1 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 187
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 2
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

(E,E)-2-methyl-6-oxohepta-2,4-dienal is a heptadienal that is hepta-2,4-dienal substituted by an oxo group at position 6 and a methyl group at position 2. It is a heptadienal, a methyl ketone and an enone.