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1086380-42-8 | 5-Pyridin-3-yl-1,2,4-oxadiazole-3-carboxylic acid
CAS No: 1086380-42-8 Catalog No: AG01F961 MDL No:
Product Description
Catalog Number:
AG01F961
Chemical Name:
5-Pyridin-3-yl-1,2,4-oxadiazole-3-carboxylic acid
CAS Number:
1086380-42-8
Molecular Formula:
C8H5N3O3
Molecular Weight:
191.1436
IUPAC Name:
5-pyridin-3-yl-1,2,4-oxadiazole-3-carboxylic acid
InChI:
InChI=1S/C8H5N3O3/c12-8(13)6-10-7(14-11-6)5-2-1-3-9-4-5/h1-4H,(H,12,13)
InChI Key:
PALXOOXXTKYVEB-UHFFFAOYSA-N
SMILES:
OC(=O)c1noc(n1)c1cccnc1
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.033g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.146g/mol
Monoisotopic Mass:
191.033g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
89.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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