Home Oxazoles 10004-45-2
10004-45-2,MFCD15474929
Catalog No.:AA0000KD
3(2H)-Isoxazolone, 5-ethyl- | 10004-45-2
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250mg
95.0%
1 week  
$292.00
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500mg
95.0%
1 week  
$302.00
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1g
95.0%
1 week  
$313.00
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  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA0000KD
Chemical Name:
3(2H)-Isoxazolone, 5-ethyl-
CAS Number:
10004-45-2
Molecular Formula:
C5H7NO2
Molecular Weight:
113.1146
MDL Number:
MFCD15474929
IUPAC Name:
5-ethyl-1,2-oxazol-3-one
InChI:
InChI=1S/C5H7NO2/c1-2-4-3-5(7)6-8-4/h3H,2H2,1H3,(H,6,7)
InChI Key:
COJBJDILSDCGSL-UHFFFAOYSA-N
SMILES:
CCc1cc(=O)[nH]o1
Properties
Computed Properties
 
Complexity:
139  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
113.048g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
113.116g/mol
Monoisotopic Mass:
113.048g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  

Synonyms
 
5-Ethylisoxazol-3-ol 
10004-45-2 
SCHEMBL8299663 
3(2H)-Isoxazolone, 5-ethyl- 
CTK6D0902 
DTXSID80473955 
5-ethyl-1,2-oxazol-3(2h)-one 
3207AJ 
ZINC36466056 
AKOS024260927 
FCH1176125 
AJ-92968 
5-ETHYL-ISOXAZOL-3-OL 
AX8289743 
DB-058252 
FT-0726009 
A18002 
Z-5404 
C5H7NO2 
5-ethyl-1,2-oxazol-3-one 
CID11829395 
5-Ethyl-3(2H)-Isoxazolone 
5-ethyl-3-isoxazolol 
5-Ethylisoxazole-3-ol 
5-ethyl-3-hydroxyisoxazole 
5-ethylisoxazol-3(2H)-one 
5-ethyl-1,2-oxazol-3-ol 
SCHEMBL178389 
Literature
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