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

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

CAS No.:
1154008-66-8
Catalog Number:
AG019VFE
Molecular Formula:
C9H8N4O3
Molecular Weight:
220.1848
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Product Description
Catalog Number:
AG019VFE
Chemical Name:
3-[3-(pyrimidin-2-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
CAS Number:
1154008-66-8
Molecular Formula:
C9H8N4O3
Molecular Weight:
220.1848
MDL Number:
MFCD12093738
IUPAC Name:
3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoic acid
InChI:
InChI=1S/C9H8N4O3/c14-7(15)3-2-6-12-9(13-16-6)8-10-4-1-5-11-8/h1,4-5H,2-3H2,(H,14,15)
InChI Key:
SWNAXXWMSRNSDK-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1onc(n1)c1ncccn1
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.06g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.188g/mol
Monoisotopic Mass:
220.06g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties