chempirical

Dihydroxyacetone

C3H6O3CAS 96-26-490.08 g/mol

Open in Covalent MOL file
OHOOH
AlcoholKetone

Properties

Molecular formula
C3H6O3
Molar mass
90.08 g/mol
Exact mass
90.0317 Da
Melting point
90 °C
logP
-1.46Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Identifiers

CAS number
96-26-4
SMILES
O=C(CO)CO
InChIKey
RXKJFZQQPQGTFL-UHFFFAOYSA-N
InChI
InChI=1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2

Weigh it out

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Names and synonyms

14 names · show all
  • 2-Propanone, 1,3-dihydroxy-
  • 1,3-Dihydroxy-2-propanone
  • Chromelin
  • 1,3-Dihydroxyacetone
  • Triulose
  • Dihyxal
  • Otan
  • Oxantin
  • Oxatone
  • Soleal
  • Viticolor
  • α,α′-Dihydroxyacetone
  • Bis(hydroxymethyl) ketone
  • NSC 24343

Work with Dihydroxyacetone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Polyglycolide26124-68-544 % similar Glycolic acid79-14-144 % similar Hydroxyacetone116-09-642 % similar Sodium glycolate2836-32-036 % similar Methyl glycolate96-35-536 % similar 1,3-Cyclopentanedione3859-41-435 % similar Ribulose488-84-635 % similar D-Xylulose551-84-835 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

D-Lactic acid10326-41-7 Poly[(+)-lactic acid]106989-11-1 1,3,5-Trioxane110-88-3 Polylactic acid26100-51-6 (+)-Glyceraldehyde453-17-8 (-)-Glyceraldehyde497-09-6 Lactic acid50-21-5 3-Hydroxypropionic acid503-66-2

Elsewhere

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