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571-58-4

571-58-4 structural image
Product Name: 1,4-DIMETHYLNAPHTHALENE
Formula: C12H12
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Clear red liquid; [MSDSonline]
Vapor Pressure 0.0084 [mmHg]
Collision Cross Section 126.9 Ų [M*]+ 129.4 Ų [M+H]+
Kovats Retention Index 1415 1399.47 1411.24 1419.17 1409 1418 1418 1418 1439 1418 1431 1409 1425.9 1441.1 1419 1415 1400.3 1438.8 1420 1426 1419 1409 243.6
Chemical Classes Other Classes -> Naphthalenes

COMPUTED DESCRIPTORS

Molecular Weight 156.22 g/mol
XLogP3 4.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 0
Exact Mass 156.093900383 g/mol
Monoisotopic Mass 156.093900383 g/mol
Topological Polar Surface Area 0 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 132
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-dimethylnaphthalene is a dimethylnaphthalene carrying methyl groups at positions 1 and 4.