chempirical

P-Dioxanone

C4H6O3CAS 3041-16-5102.09 g/mol

Open in Covalent MOL file
OOO
EsterEtherLactone

Properties

Molecular formula
C4H6O3
Molar mass
102.09 g/mol
Exact mass
102.0317 Da
Density
1.2664 g/mL (at 30 °C)
Melting point
26.7 °C
Boiling point
213 °C
logP
-0.44Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Identifiers

CAS number
3041-16-5
SMILES
O=C1COCCO1
InChIKey
VPVXHAANQNHFSF-UHFFFAOYSA-N
InChI
InChI=1S/C4H6O3/c5-4-3-6-1-2-7-4/h1-3H2

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

7 names
  • 1,4-Dioxan-2-one
  • p-Dioxan-2-one
  • Acetic acid, (2-hydroxyethoxy)-, δ-lactone
  • 2-Oxo-1,4-dioxane
  • 2-p-Dioxanone
  • Dioxanone
  • NSC 60534

Work with P-Dioxanone

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Glycolide502-97-653 % similar Ethyl 2-chloroethoxyacetate17229-14-048 % similar Ethyl ethoxyacetate817-95-848 % similar Ethylene brassylate105-95-348 % similar Glycol dimercaptoacetate123-81-948 % similar 2,2′-[1,2-Ethanediylbis(oxy)]bis[acetic acid]23243-68-748 % similar 1,1′-(1,2-Ethanediyl) bis(2-bromoacetate)3785-34-048 % similar Polyethylene glycol bis(carboxymethyl) ether39927-08-748 % similar

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

Same formula

Acetic anhydride108-24-7 Propylene carbonate108-32-7 Methyl (2R)-2-oxiranecarboxylate111058-32-3 3-Oxetanecarboxylic acid114012-41-8 (4R)-4-Methyl-1,3-dioxolan-2-one16606-55-6 α-Hydroxy-γ-butyrolactone19444-84-9 Trimethylene carbonate2453-03-4 Poly(trimethylene carbonate)31852-84-3

Elsewhere

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