Home Carboxys 4-Isoxazolecarboxylicacid,3-amino-,ethylester(9CI)

4-Isoxazolecarboxylicacid,3-amino-,ethylester(9CI)

CAS No.:
182424-36-8
Catalog Number:
AG00B42Q
Molecular Formula:
C6H8N2O3
Molecular Weight:
156.1393
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Product Description
Catalog Number:
AG00B42Q
Chemical Name:
4-Isoxazolecarboxylicacid,3-amino-,ethylester(9CI)
CAS Number:
182424-36-8
Molecular Formula:
C6H8N2O3
Molecular Weight:
156.1393
MDL Number:
MFCD18830930
IUPAC Name:
ethyl 3-amino-1,2-oxazole-4-carboxylate
InChI:
InChI=1S/C6H8N2O3/c1-2-10-6(9)4-3-11-8-5(4)7/h3H,2H2,1H3,(H2,7,8)
InChI Key:
JDBWUSFGLLSDDV-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1conc1N
Properties
Complexity:
151  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.053g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
156.141g/mol
Monoisotopic Mass:
156.053g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties