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203586-94-1 | 5-Isoxazolecarboxylic acid, 3-amino-, ethyl ester
CAS No: 203586-94-1 Catalog No: AG0028ZY MDL No:MFCD11111719
Product Description
Catalog Number:
AG0028ZY
Chemical Name:
5-Isoxazolecarboxylic acid, 3-amino-, ethyl ester
CAS Number:
203586-94-1
Molecular Formula:
C6H8N2O3
Molecular Weight:
156.1393
MDL Number:
MFCD11111719
IUPAC Name:
ethyl 3-amino-1,2-oxazole-5-carboxylate
InChI:
InChI=1S/C6H8N2O3/c1-2-10-6(9)4-3-5(7)8-11-4/h3H,2H2,1H3,(H2,7,8)
InChI Key:
IVFDIGGPNNRPBK-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(no1)N
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:
0.6
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