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16938-22-0

16938-22-0 structural image
Product Name: 2,2,4-trimethylhexa-1,6-diyl diisocyanate
Formula: C11H18N2O2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description 2,2,4-trimethylhexamethylene diisocyanate is a yellow liquid.

COMPUTED DESCRIPTORS

Molecular Weight 210.27 g/mol
XLogP3 4.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 7
Exact Mass 210.136827821 g/mol
Monoisotopic Mass 210.136827821 g/mol
Topological Polar Surface Area 58.9 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 274
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

2,2,4-trimethylhexamethylene diisocyanate is a yellow liquid.