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1341975-51-6 | Ethyl 5-(oxan-4-yl)-1,2,4-oxadiazole-3-carboxylate
CAS No: 1341975-51-6 Catalog No: AG01F8ZK MDL No:
Product Description
Catalog Number:
AG01F8ZK
Chemical Name:
Ethyl 5-(oxan-4-yl)-1,2,4-oxadiazole-3-carboxylate
CAS Number:
1341975-51-6
Molecular Formula:
C10H14N2O4
Molecular Weight:
226.2292
IUPAC Name:
ethyl 5-(oxan-4-yl)-1,2,4-oxadiazole-3-carboxylate
InChI:
InChI=1S/C10H14N2O4/c1-2-15-10(13)8-11-9(16-12-8)7-3-5-14-6-4-7/h7H,2-6H2,1H3
InChI Key:
IWESVMRLRDWDSO-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1noc(n1)C1CCOCC1
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.232g/mol
Monoisotopic Mass:
226.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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