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Home Other Building Blocks 3-Oxetanone

3-Oxetanone

CAS No.:
6704-31-0
Catalog Number:
AG00365Z
Molecular Formula:
C3H4O2
Molecular Weight:
72.0627
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$15
- +
5g
95%
In Stock USA
United States
$20
- +
25g
95%
In Stock USA
United States
$49
- +
100g
95%
In Stock USA
United States
$138
- +
Product Description
Catalog Number:
AG00365Z
Chemical Name:
3-Oxetanone
CAS Number:
6704-31-0
Molecular Formula:
C3H4O2
Molecular Weight:
72.0627
MDL Number:
MFCD09263255
IUPAC Name:
oxetan-3-one
InChI:
InChI=1S/C3H4O2/c4-3-1-5-2-3/h1-2H2
InChI Key:
ROADCYAOHVSOLQ-UHFFFAOYSA-N
SMILES:
O=C1COC1
Properties
Complexity:
51.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
72.021g/mol
Formal Charge:
0
Heavy Atom Count:
5  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
72.063g/mol
Monoisotopic Mass:
72.021g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Literature
Title Journal
Synchrotron-based far-infrared spectroscopic investigation and ab initio calculations of 3-oxetanone: observation and analysis of the ν7 band and the Coriolis coupled ν16 and ν20 bands. The journal of physical chemistry. A 20120927
Highly functional group compatible Rh-catalyzed addition of arylboroxines to activated N-tert-butanesulfinyl ketimines. Organic letters 20110805
Gold-catalyzed one-step practical synthesis of oxetan-3-ones from readily available propargylic alcohols. Journal of the American Chemical Society 20100630
Oxetanes in drug discovery: structural and synthetic insights. Journal of medicinal chemistry 20100422
Thermochemistry and kinetics of acetonylperoxy radical isomerisation and decomposition: a quantum chemistry and CVT/SCT approach. Physical chemistry chemical physics : PCCP 20081221
NMR studies on epoxidations of allenamides. Evidence for formation of nitrogen-substituted allene oxide and spiro-epoxide via trapping experiments. The Journal of organic chemistry 20020222
Properties