Home Carboxys Ethyl5-[4-(Ethoxycarbonyl)phenyl]isoxazole-3-carboxylate

Ethyl5-[4-(Ethoxycarbonyl)phenyl]isoxazole-3-carboxylate

CAS No.:
1820686-51-8
Catalog Number:
AG00I0V3
Molecular Formula:
C15H15NO5
Molecular Weight:
289.2833
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Product Description
Catalog Number:
AG00I0V3
Chemical Name:
Ethyl5-[4-(Ethoxycarbonyl)phenyl]isoxazole-3-carboxylate
CAS Number:
1820686-51-8
Molecular Formula:
C15H15NO5
Molecular Weight:
289.2833
MDL Number:
MFCD27935387
IUPAC Name:
ethyl 5-(4-ethoxycarbonylphenyl)-1,2-oxazole-3-carboxylate
InChI:
InChI=1S/C15H15NO5/c1-3-19-14(17)11-7-5-10(6-8-11)13-9-12(16-21-13)15(18)20-4-2/h5-9H,3-4H2,1-2H3
InChI Key:
SCOVHUHETCHRMG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)c1onc(c1)C(=O)OCC
Properties
Complexity:
365  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.095g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.287g/mol
Monoisotopic Mass:
289.095g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties