3-Oxetanone


Chemical Name: 3-Oxetanone
CAS Number: 6704-31-0
Product Number: AG00365Z(AGN-PC-003EBP)
Synonyms:
MDL No:
Molecular Formula: C3H4O2
Molecular Weight: 72.0627

Identification/Properties


Properties
BP:
140°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Refractive Index:
1.426
Solubility:
Miscible with tetrahydrofuran.
Computed Properties
Molecular Weight:
72.063g/mol
XLogP3:
-0.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
72.021g/mol
Monoisotopic Mass:
72.021g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
5
Formal Charge:
0
Complexity:
51.9
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
1993
Hazard Statements:
H226-H302-H315-H317-H318-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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