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1402232-67-0 | Ethyl 5-(oxan-4-yl)-1,3,4-oxadiazole-2-carboxylate
CAS No: 1402232-67-0 Catalog No: AG01F91I MDL No:
Product Description
Catalog Number:
AG01F91I
Chemical Name:
Ethyl 5-(oxan-4-yl)-1,3,4-oxadiazole-2-carboxylate
CAS Number:
1402232-67-0
Molecular Formula:
C10H14N2O4
Molecular Weight:
226.2292
IUPAC Name:
ethyl 5-(oxan-4-yl)-1,3,4-oxadiazole-2-carboxylate
InChI:
InChI=1S/C10H14N2O4/c1-2-15-10(13)9-12-11-8(16-9)7-3-5-14-6-4-7/h7H,2-6H2,1H3
InChI Key:
GDLLMENEUOQRGA-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nnc(o1)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:
0.7
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