CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | White to off-white solid; [Acros Organics MSDS] |
|---|---|
| Boiling Point | 312.4 °C |
| Melting Point | 44.5 °C |
| Solubility | 33 mg/L (at 20 °C) |
| Collision Cross Section | 157.92 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Sample Type: Human bronchoalveolar lavage fluid (BALF); Dataset: Unambiguous Lipids] |
| Kovats Retention Index | 1666 1668 1659 1647 1651 1660 1668 1645 1648 1669 |
| Chemical Classes | Lipids -> Unambiguous Lipids |
COMPUTED DESCRIPTORS
| Molecular Weight | 214.34 g/mol |
|---|---|
| XLogP3 | 4.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 11 |
| Exact Mass | 214.193280068 g/mol |
| Monoisotopic Mass | 214.193280068 g/mol |
| Topological Polar Surface Area | 37.3 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 144 |
| 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
Tridecanoic acid is a C13 straight-chain saturated fatty acid. It has a role as a plant metabolite. It is a long-chain fatty acid and a straight-chain saturated fatty acid. It is a conjugate acid of a tridecanoate.