Home Carboxys 5-{[2-(tert-butoxy)-2-oxoethoxy]methyl}-1,3-oxazole-4-carboxylic acid

5-{[2-(tert-butoxy)-2-oxoethoxy]methyl}-1,3-oxazole-4-carboxylic acid

CAS No.:
1909319-49-8
Catalog Number:
AG01C4HM
Molecular Formula:
C11H15NO6
Molecular Weight:
257.2399
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Product Description
Catalog Number:
AG01C4HM
Chemical Name:
5-{[2-(tert-butoxy)-2-oxoethoxy]methyl}-1,3-oxazole-4-carboxylic acid
CAS Number:
1909319-49-8
Molecular Formula:
C11H15NO6
Molecular Weight:
257.2399
MDL Number:
MFCD29906891
IUPAC Name:
5-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]methyl]-1,3-oxazole-4-carboxylic acid
InChI:
InChI=1S/C11H15NO6/c1-11(2,3)18-8(13)5-16-4-7-9(10(14)15)12-6-17-7/h6H,4-5H2,1-3H3,(H,14,15)
InChI Key:
MPLXSVONYWBLOO-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)COCc1ocnc1C(=O)O
Properties
Complexity:
311  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.09g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
257.242g/mol
Monoisotopic Mass:
257.09g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
98.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties