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143-25-9

143-25-9 structural image
Product Name: TRANS-11-OCTADECENOIC ACID
Formula: C18H34O2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Liquid
Melting Point 44 °C
Collision Cross Section 174.95 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]

COMPUTED DESCRIPTORS

Molecular Weight 282.5 g/mol
XLogP3 6.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 15
Exact Mass 282.255880323 g/mol
Monoisotopic Mass 282.255880323 g/mol
Topological Polar Surface Area 37.3 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 234
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

PRODUCT INTRODUCTION

description

Vaccenic acid is an octadecenoic acid having a double bond at position 11; and which can occur in cis- or trans- configurations. It is an octadecenoic acid and a straight-chain fatty acid. It is a conjugate acid of a vaccenate(1-).