Home Carboxys 5-Oxazolecarboxylicacid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-

5-Oxazolecarboxylicacid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-

CAS No.:
903094-60-0
Catalog Number:
AG00H1EF
Molecular Formula:
C9H12N2O5
Molecular Weight:
228.2020
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Product Description
Catalog Number:
AG00H1EF
Chemical Name:
5-Oxazolecarboxylicacid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-
CAS Number:
903094-60-0
Molecular Formula:
C9H12N2O5
Molecular Weight:
228.2020
MDL Number:
MFCD06657434
IUPAC Name:
2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazole-5-carboxylic acid
InChI:
InChI=1S/C9H12N2O5/c1-9(2,3)16-8(14)11-7-10-4-5(15-7)6(12)13/h4H,1-3H3,(H,12,13)(H,10,11,14)
InChI Key:
GRSZRACHQGSPBM-UHFFFAOYSA-N
SMILES:
O=C(Nc1ncc(o1)C(=O)O)OC(C)(C)C
Properties
Complexity:
286  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.075g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
228.204g/mol
Monoisotopic Mass:
228.075g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties