3,3-Bis(hydroxymethyl)-2-butanone
4-hydroxy-3-(hydroxymethyl)-3-methylbutan-2-one
Also Known As: 3,3-Bis(hydroxymethyl)-2-butanone|2-Butanone, 3,3-bis(hydroxymethyl)-|3,3-bis(Hydroxymethyl)butanone|3,3-dihydroxymethyl-2-butanone|2-Butanone, 4-hydroxy-3-(hydroxymethyl)-3-methyl-|3-oxo-2,2-bis-[hydroxymethyl]-butane|4-hydroxy-3-(hydroxymethyl)-3-methylbutan-2-one|3-oxo-2,2-bis-(hydroxymethyl)butane|3-oxo-2,2-bis-(hydroxymethyl)-butane|4-Hydroxy-3-hydroxymethyl-3-methyl-2-butanone|4-Hydroxy-3-(hydroxymethyl)-3-methyl-2-butanone #
| Molecular Formula | C6H12O3 |
|---|---|
| Molecular Weight | 132.07864 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 132.07864 |
| Monoisotopic Mass | 132.07864 |
| Heavy Atoms | 9 |
| Complexity | 105.0 |
Chemical Identifiers
| CAS Number | 6868-97-9 |
|---|---|
| SMILES | CC(=O)C(C)(CO)CO |
| InChIKey | CITZTYCVNHPCQL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3-Bis(hydroxymethyl)-2-butanone (CAS 6868-97-9), with molecular formula C6H12O3 and molecular weight 132.07864 g/mol. IUPAC: 4-hydroxy-3-(hydroxymethyl)-3-methylbutan-2-one.
3,3-Bis(hydroxymethyl)-2-butanone is a custom synthesis product. We offer services from milligram to kilogram scale.
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