Home Other Building Blocks 3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid

3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid

CAS No.:
1333951-08-8
Catalog Number:
AG01AK95
Molecular Formula:
C9H8N2O4
Molecular Weight:
208.1708
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Product Description
Catalog Number:
AG01AK95
Chemical Name:
3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
CAS Number:
1333951-08-8
Molecular Formula:
C9H8N2O4
Molecular Weight:
208.1708
MDL Number:
MFCD19597865
IUPAC Name:
3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
InChI:
InChI=1S/C9H8N2O4/c12-8(13)2-1-7-10-9(11-15-7)6-3-4-14-5-6/h3-5H,1-2H2,(H,12,13)
InChI Key:
SDHOVKREXIVDMG-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1onc(n1)c1cocc1
Properties
Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.048g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
208.173g/mol
Monoisotopic Mass:
208.048g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
89.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties