Free Chemical Databases
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[Synonyms]
Furan, 2-ethenyl-5-nitro-
71258-91-8
[Structure]
[ Properties Computed from Structure]
Molecular Weight 139.1088 [g/mol] Molecular Formula C6H5NO3 XLogP 1.3 H-Bond Donor 0 H-Bond Acceptor 3 Rotatable Bond Count 1 Exact Mass 139.026943 MonoIsotopic Mass 139.026943 Topological Polar Surface Area 56.3 Heavy Atom Count 10 Formal Charge 0 Complexity 152 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 2-ethenyl-5-nitrofuran
Canonical SMILES: C=CC1=CC=C(O1)[N+](=O)[O-]
InChI: InChI=1/C6H5NO3/c1-2-5-3-4-6(10-5)7(8)9/h2-4H,1H2
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