CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Liquid |
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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 |
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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-).