CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 153.22 Ų [M-H]- [CCS Type: TIMS, Method: single field calibrated] |
|---|---|
| Kovats Retention Index | 2555 |
COMPUTED DESCRIPTORS
| Molecular Weight | 214.34 g/mol |
|---|---|
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 10 |
| 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 | 153 |
| 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
Isotridecanoic acid is a branched-chain saturated fatty acid comprising dodecanoic (lauric) acid substituted at position 11 by a methyl group. It is a methyl-branched fatty acid, a branched-chain saturated fatty acid and a medium-chain fatty acid. It is a conjugate acid of an isotridecanoate.