Hexanoic Acid
Chemical Information
Hexanoic acid is a C6, straight-chain saturated fatty acid. It has a role as a plant metabolite and a human metabolite. It is a straight-chain saturated fatty acid and a medium-chain fatty acid. It is a conjugate acid of a hexanoate.
| CAS Number | 142-62-1 |
| PubChem CID | 8892 |
| IUPAC Name | hexanoic acid |
| Molecular Formula | C6H12O2 |
| Molecular Weight | 116.16 |
| XLogP | 1.9 |
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 68 |
| Property | Value |
|---|---|
| Molecular Weight | 116.16 |
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 116.083729621 |
| Monoisotopic Mass | 116.083729621 |
| Topological Polar Surface Area | 37.3 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 68.9 |
| 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 |
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