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1002-27-3

1002-27-3 structural image
Product Name: 1,3,6-HEPTATRIENE
Formula: C7H10
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 728.8

COMPUTED DESCRIPTORS

Molecular Weight 94.15 g/mol
XLogP3 2.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 3
Exact Mass 94.078250319 g/mol
Monoisotopic Mass 94.078250319 g/mol
Topological Polar Surface Area 0 Ų
Heavy Atom Count 7
Formal Charge 0
Complexity 78
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes