chempirical

3-Oxetanone

C3H4O2CAS 6704-31-072.06 g/mol

Open in Covalent MOL file
OO
EtherKetone

Properties

Molecular formula
C3H4O2
Molar mass
72.06 g/mol
Exact mass
72.0211 Da
Boiling point
58–60 °C (at 150 Torr)
logP
-0.41Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
6704-31-0
SMILES
O=C1COC1
InChIKey
ROADCYAOHVSOLQ-UHFFFAOYSA-N
InChI
InChI=1S/C3H4O2/c4-3-1-5-2-3/h1-2H2

Weigh it out

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

Names and synonyms

2 names
  • 2-Propanone, 1,3-epoxy-
  • Oxetan-3-one

Work with 3-Oxetanone

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

Pyran-3,5-dione61363-56-273 % similar 3-Oxotetrahydrofuran22929-52-856 % similar 2H-Pyran-3(4H)-one, dihydro-23462-75-150 % similar Tetrahydro-4H-pyran-4-one29943-42-844 % similar Diglycolic anhydride4480-83-544 % similar Cyclobutanone1191-95-344 % similar 1,3-Diacetoxyacetone6946-10-743 % similar 2,2-Dimethyl-1,3-dioxan-5-one74181-34-343 % similar

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

Same formula

Beta-propiolactone57-57-8 Vinyl formate692-45-5 Glycidaldehyde765-34-4 Methylglyoxal78-98-8 Acrylic acid79-10-7 Polyacrylic acid9003-01-4

Elsewhere

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