3-Oxetanone

C₃H₄O₂CAS 6704-31-072.06 g/mol

Open in Covalent MOL file

Ether Ketone

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 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Danger

H226 Flammable liquid and vapor98% of notifiers
H302 Harmful if swallowed89.8% of notifiers
H315 Causes skin irritation93.9% of notifiers
H317 May cause an allergic skin reaction89.8% of notifiers
H318 Causes serious eye damage89.8% of notifiers
H335 May cause respiratory irritation91.8% of notifiers

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

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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