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111381-89-6

111381-89-6 structural image
Product Name: 1,2-Benzenedicarboxylic acid, heptyl nonyl ester, branched and linear
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Liquid; [EPA ChAMP]
Vapor Pressure 0.000007 [mmHg]
Chemical Classes UVCB

COMPUTED DESCRIPTORS

Molecular Weight 390.6 g/mol
XLogP3 7.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 16
Exact Mass 390.27700969 g/mol
Monoisotopic Mass 390.27700969 g/mol
Topological Polar Surface Area 52.6 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 430
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