Home Other Building Blocks 4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoic acid

4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoic acid

CAS No.:
322725-59-7
Catalog Number:
AG019N4F
Molecular Formula:
C12H12N2O3
Molecular Weight:
232.2353
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Product Description
Catalog Number:
AG019N4F
Chemical Name:
4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoic acid
CAS Number:
322725-59-7
Molecular Formula:
C12H12N2O3
Molecular Weight:
232.2353
MDL Number:
MFCD01244503
IUPAC Name:
4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoic acid
InChI:
InChI=1S/C12H12N2O3/c15-11(16)8-4-7-10-13-14-12(17-10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,15,16)
InChI Key:
WKTZMTARAUCRSD-UHFFFAOYSA-N
SMILES:
OC(=O)CCCc1nnc(o1)c1ccccc1
Properties
Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.085g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
232.239g/mol
Monoisotopic Mass:
232.085g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties