Home Other Building Blocks 1,2,4-Oxadiazole-5-propanoic acid, 3-(2-pyridinyl)-

1,2,4-Oxadiazole-5-propanoic acid, 3-(2-pyridinyl)-

CAS No.:
99185-87-2
Catalog Number:
AG00IK8K
Molecular Formula:
C10H9N3O3
Molecular Weight:
219.1968
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Product Description
Catalog Number:
AG00IK8K
Chemical Name:
1,2,4-Oxadiazole-5-propanoic acid, 3-(2-pyridinyl)-
CAS Number:
99185-87-2
Molecular Formula:
C10H9N3O3
Molecular Weight:
219.1968
MDL Number:
MFCD00098188
IUPAC Name:
3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoic acid
InChI:
InChI=1S/C10H9N3O3/c14-9(15)5-4-8-12-10(13-16-8)7-3-1-2-6-11-7/h1-3,6H,4-5H2,(H,14,15)
InChI Key:
SMLZSTCHCICYHA-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1onc(n1)c1ccccn1
Properties
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.064g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
219.2g/mol
Monoisotopic Mass:
219.064g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
89.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties