Methyl butyrate
Chemical Information
Methyl butyrate is a fatty acid ester.
| CAS Number | 623-42-7 |
| PubChem CID | 12180 |
| IUPAC Name | methyl butanoate |
| Molecular Formula | C5H10O2 |
| Molecular Weight | 102.13 |
| XLogP | 1.3 |
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 59 |
| Property | Value |
|---|---|
| Molecular Weight | 102.13 |
| XLogP3 | 1.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 102.068079557 |
| Monoisotopic Mass | 102.068079557 |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 59.1 |
| 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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