5-Hydroxymethylfurfural-13C6

Chemical Information
| CAS Number | 1219193-98-2 |
| PubChem CID | 46781825 |
| IUPAC Name | 5-(hydroxy(113C)methyl)(2,3,4,5-13C4)furan-2-carbaldehyde |
| Molecular Formula | C6H6O3 |
| Molecular Weight | 132.066 |
| XLogP | -0.6 |
| Topological Polar Surface Area | 50.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 102 |
| Property | Value |
|---|---|
| Molecular Weight | 132.066 |
| XLogP3 | -0.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 132.05182306 |
| Monoisotopic Mass | 132.05182306 |
| Topological Polar Surface Area | 50.4 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 102 |
| Isotope Atom Count | 6 |
| 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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