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2012-14-8

2012-14-8 structural image
Product Name: 9,12-OCTADECADIYNOIC ACID
Formula: C18H28O2
Synonyms: ODYA;Ro 3-1314
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COMPUTED DESCRIPTORS

Molecular Weight 276.4 g/mol
XLogP3 6.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 10
Exact Mass 276.208930132 g/mol
Monoisotopic Mass 276.208930132 g/mol
Topological Polar Surface Area 37.3 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 369
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

Octadeca-9,12-diynoic acid is an octadecadiynoic acid having its triple bonds at positions 9 and 12.