Free Chemical Databases
-
[Synonyms]
TimTec1_003084
Oprea1_306949
Oprea1_498771
ARONIS000664
NSC48638
ZINC00142180
ST039716
[Structure]
[ Properties Computed from Structure]
Molecular Weight 195.21842 [g/mol] Molecular Formula C9H13N3O2 XLogP -0.2 H-Bond Donor 3 H-Bond Acceptor 4 Rotatable Bond Count 4 Tautomer Count 2 Exact Mass 195.100777 MonoIsotopic Mass 195.100777 Topological Polar Surface Area 76.4 Heavy Atom Count 14 Formal Charge 0 Complexity 187 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-[(2-methoxyphenyl)amino]acetohydrazide
Canonical SMILES: COC1=CC=CC=C1NCC(=O)NN
InChI: InChI=1/C9H13N3O2/c1-14-8-5-3-2-4-7(8)11-6-9(13)12-10/h2-5,11H,6,10H2,
1H3,(H,12,13)/f/h12H
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