Methyl salicylate
Chemical Information
Methyl salicylate is a benzoate ester that is the methyl ester of salicylic acid. It has a role as an insect attractant, a metabolite and a flavouring agent. It is a methyl ester, a member of salicylates and a benzoate ester. It is functionally related to a salicylic acid.
| CAS Number | 119-36-8 |
| PubChem CID | 4133 |
| IUPAC Name | methyl 2-hydroxybenzoate |
| Molecular Formula | C8H8O3 |
| Molecular Weight | 152.15 |
| XLogP | 2.3 |
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 144 |
| Property | Value |
|---|---|
| Molecular Weight | 152.15 |
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 152.047344113 |
| Monoisotopic Mass | 152.047344113 |
| Topological Polar Surface Area | 46.5 Ų |
| Heavy Atom Count | 11 |
| 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 |
Related Products
Alternative Products
| Catalog | Name |
|---|---|
| T0399 | Methyl salicylate |
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