Isovaleric Acid Methyl-d3 Ester
Chemical Information
| CAS Number | 1082582-09-9 |
| PubChem CID | 131668315 |
| IUPAC Name | trideuteriomethyl 3-methylbutanoate |
| Molecular Formula | C6H12O2 |
| Molecular Weight | 119.18 |
| XLogP | 1.8 |
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 76 |
| Property | Value |
|---|---|
| Molecular Weight | 119.18 |
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 119.102559859 |
| Monoisotopic Mass | 119.102559859 |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 76.6 |
| Isotope Atom Count | 3 |
| 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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