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

methyl 5-ethyl-3-phenyl-1,2-oxazole-4-carboxylate

CAS No.:
929890-04-0
Catalog Number:
AG01BGGD
Molecular Formula:
C13H13NO3
Molecular Weight:
231.2472
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Product Description
Catalog Number:
AG01BGGD
Chemical Name:
methyl 5-ethyl-3-phenyl-1,2-oxazole-4-carboxylate
CAS Number:
929890-04-0
Molecular Formula:
C13H13NO3
Molecular Weight:
231.2472
MDL Number:
MFCD22370413
IUPAC Name:
methyl 5-ethyl-3-phenyl-1,2-oxazole-4-carboxylate
InChI:
InChI=1S/C13H13NO3/c1-3-10-11(13(15)16-2)12(14-17-10)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3
InChI Key:
QYBUQVKSPZKILI-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(CC)onc1c1ccccc1
Properties
Complexity:
263  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.09g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.251g/mol
Monoisotopic Mass:
231.09g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties