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163719-72-0 | 1,2,4-Oxadiazole-5-carboxylic acid, 3-(3-pyridinyl)-, ethyl ester
CAS No: 163719-72-0 Catalog No: AG001UBM MDL No:
Product Description
Catalog Number:
AG001UBM
Chemical Name:
1,2,4-Oxadiazole-5-carboxylic acid, 3-(3-pyridinyl)-, ethyl ester
CAS Number:
163719-72-0
Molecular Formula:
C10H9N3O3
Molecular Weight:
219.1968
IUPAC Name:
ethyl 3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxylate
InChI:
InChI=1S/C10H9N3O3/c1-2-15-10(14)9-12-8(13-16-9)7-4-3-5-11-6-7/h3-6H,2H2,1H3
InChI Key:
UCJHAHJTNSHCNM-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1onc(n1)c1cccnc1
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:
0
Isotope Atom Count:
0
Molecular Weight:
219.2g/mol
Monoisotopic Mass:
219.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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