Free Chemical Databases
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[Synonyms]
NSC138017
5153-24-2
[Structure]
[ Properties Computed from Structure]
Molecular Weight 170.1692 [g/mol] Molecular Formula C6H10N4O2 XLogP -0.3 H-Bond Donor 0 H-Bond Acceptor 6 Rotatable Bond Count 4 Exact Mass 170.080376 MonoIsotopic Mass 170.080376 Topological Polar Surface Area 69.9 Heavy Atom Count 12 Formal Charge 0 Complexity 164 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 1 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: ethyl 2-(tetrazol-1-yl)propanoate
Canonical SMILES: CCOC(=O)C(C)N1C=NN=N1
InChI: InChI=1/C6H10N4O2/c1-3-12-6(11)5(2)10-4-7-8-9-10/h4-5H,3H2,1-2H3
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