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1086375-75-8 | Ethyl 5-(3-Furyl)-1,2,4-oxadiazole-3-carboxylate
CAS No: 1086375-75-8 Catalog No: AG01F9F8 MDL No:
Product Description
Catalog Number:
AG01F9F8
Chemical Name:
Ethyl 5-(3-Furyl)-1,2,4-oxadiazole-3-carboxylate
CAS Number:
1086375-75-8
Molecular Formula:
C9H8N2O4
Molecular Weight:
208.1708
IUPAC Name:
ethyl 5-(furan-3-yl)-1,2,4-oxadiazole-3-carboxylate
InChI:
InChI=1S/C9H8N2O4/c1-2-14-9(12)7-10-8(15-11-7)6-3-4-13-5-6/h3-5H,2H2,1H3
InChI Key:
NRBAMAXVTKOARH-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1noc(n1)c1cocc1
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.048g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.173g/mol
Monoisotopic Mass:
208.048g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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