Home Carboxys Methyl 5-(3-cyanophenyl)isoxazole-3-carboxylate

Methyl 5-(3-cyanophenyl)isoxazole-3-carboxylate

CAS No.:
956360-06-8
Catalog Number:
AG003RWI
Molecular Formula:
C12H8N2O3
Molecular Weight:
228.2035
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Product Description
Catalog Number:
AG003RWI
Chemical Name:
Methyl 5-(3-cyanophenyl)isoxazole-3-carboxylate
CAS Number:
956360-06-8
Molecular Formula:
C12H8N2O3
Molecular Weight:
228.2035
MDL Number:
MFCD22192336
IUPAC Name:
methyl 5-(3-cyanophenyl)-1,2-oxazole-3-carboxylate
InChI:
InChI=1S/C12H8N2O3/c1-16-12(15)10-6-11(17-14-10)9-4-2-3-8(5-9)7-13/h2-6H,1H3
InChI Key:
AKKNAJJXVYKRHT-UHFFFAOYSA-N
SMILES:
COC(=O)c1noc(c1)c1cccc(c1)C#N
Properties
Complexity:
336  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.053g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.207g/mol
Monoisotopic Mass:
228.053g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties