Home Carboxys ethyl 3-phenyl-1,4,2-dioxazole-5-carboxylate

ethyl 3-phenyl-1,4,2-dioxazole-5-carboxylate

CAS No.:
37829-38-2
Catalog Number:
AG01DK84
Molecular Formula:
C11H11NO4
Molecular Weight:
221.2093
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Product Description
Catalog Number:
AG01DK84
Chemical Name:
ethyl 3-phenyl-1,4,2-dioxazole-5-carboxylate
CAS Number:
37829-38-2
Molecular Formula:
C11H11NO4
Molecular Weight:
221.2093
IUPAC Name:
ethyl 3-phenyl-1,4,2-dioxazole-5-carboxylate
InChI:
InChI=1S/C11H11NO4/c1-2-14-10(13)11-15-9(12-16-11)8-6-4-3-5-7-8/h3-7,11H,2H2,1H3
InChI Key:
RWSNSCBMVRAXBM-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1ON=C(O1)c1ccccc1
Properties
Complexity:
284  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.069g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.212g/mol
Monoisotopic Mass:
221.069g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
57.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties