Free Chemical Databases
-
[Synonyms]
Oprea1_582310
AIDS343471
AIDS-343471
NSC409919
IVK/9034426
Benzoic acid, 2,5-dihydroxy-, hydrazide
15791-90-9
[Structure]
[ Properties Computed from Structure]
Molecular Weight 168.15002 [g/mol] Molecular Formula C7H8N2O3 XLogP -0.2 H-Bond Donor 4 H-Bond Acceptor 4 Rotatable Bond Count 1 Tautomer Count 31 Exact Mass 168.053492 MonoIsotopic Mass 168.053492 Topological Polar Surface Area 95.6 Heavy Atom Count 12 Formal Charge 0 Complexity 174 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: 2,5-dihydroxybenzohydrazide
Canonical SMILES: C1=CC(=C(C=C1O)C(=O)NN)O
InChI: InChI=1/C7H8N2O3/c8-9-7(12)5-3-4(10)1-2-6(5)11/h1-3,10-11H,8H2,(H,9,
12)/f/h9H
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