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69120-02-1

69120-02-1 structural image
Product Name: CIS-13-EICOSENOIC ACID METHYL ESTER
Formula: C21H40O2
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 2321.6

COMPUTED DESCRIPTORS

Molecular Weight 324.5 g/mol
XLogP3 8.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 18
Exact Mass 324.302830514 g/mol
Monoisotopic Mass 324.302830514 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 271
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