2-Oxovaleric acid
Chemical Information
2-oxopentanoic acid is an oxopentanoic acid carrying an oxo group at position 2. It has a role as a human metabolite. It is an oxopentanoic acid and a 2-oxo monocarboxylic acid. It is a conjugate acid of a 2-oxopentanoate.
| CAS Number | 1821-02-9 |
| PubChem CID | 74563 |
| IUPAC Name | 2-oxopentanoic acid |
| Molecular Formula | C5H8O3 |
| Molecular Weight | 116.11 |
| XLogP | 0.5 |
| Topological Polar Surface Area | 54.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 106 |
| Property | Value |
|---|---|
| Molecular Weight | 116.11 |
| XLogP3 | 0.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 116.047344113 |
| Monoisotopic Mass | 116.047344113 |
| Topological Polar Surface Area | 54.4 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 106 |
| 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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