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1380300-65-1 | Ethyl 3-cyclobutyl-1,2,4-oxadiazole-5-carboxylate
CAS No: 1380300-65-1 Catalog No: AG01F9AD MDL No:
Product Description
Catalog Number:
AG01F9AD
Chemical Name:
Ethyl 3-cyclobutyl-1,2,4-oxadiazole-5-carboxylate
CAS Number:
1380300-65-1
Molecular Formula:
C9H12N2O3
Molecular Weight:
196.2032
IUPAC Name:
ethyl 3-cyclobutyl-1,2,4-oxadiazole-5-carboxylate
InChI:
InChI=1S/C9H12N2O3/c1-2-13-9(12)8-10-7(11-14-8)6-4-3-5-6/h6H,2-5H2,1H3
InChI Key:
KTIKEYSHNDRWFZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1onc(n1)C1CCC1
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.085g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.206g/mol
Monoisotopic Mass:
196.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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