Home Carboxys 4-Isoxazolecarboxylicacid,5-amino-3-(2-hydroxyethoxy)-,methylester(9CI)

4-Isoxazolecarboxylicacid,5-amino-3-(2-hydroxyethoxy)-,methylester(9CI)

CAS No.:
126865-31-4
Catalog Number:
AG00AIIS
Molecular Formula:
C7H10N2O5
Molecular Weight:
202.1647
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Product Description
Catalog Number:
AG00AIIS
Chemical Name:
4-Isoxazolecarboxylicacid,5-amino-3-(2-hydroxyethoxy)-,methylester(9CI)
CAS Number:
126865-31-4
Molecular Formula:
C7H10N2O5
Molecular Weight:
202.1647
MDL Number:
MFCD24633897
IUPAC Name:
methyl 5-amino-3-(2-hydroxyethoxy)-1,2-oxazole-4-carboxylate
InChI:
InChI=1S/C7H10N2O5/c1-12-7(11)4-5(8)14-9-6(4)13-3-2-10/h10H,2-3,8H2,1H3
InChI Key:
DYWQVBBUPAGWQP-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(OCCO)noc1N
Properties
Complexity:
201  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.059g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
202.166g/mol
Monoisotopic Mass:
202.059g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties