Free Chemical Databases
-
[Synonyms]
NSC400335
AIDS130238
AIDS-130238
9-(Hydroxy(oxido)amino)-3-phenanthrenol
NSC 400335
7402-91-7
[Structure]
[ Properties Computed from Structure]
Molecular Weight 239.22616 [g/mol] Molecular Formula C14H9NO3 XLogP 4 H-Bond Donor 1 H-Bond Acceptor 3 Rotatable Bond Count 0 Tautomer Count 3 Exact Mass 239.058243 MonoIsotopic Mass 239.058243 Topological Polar Surface Area 63.4 Heavy Atom Count 18 Formal Charge 0 Complexity 328 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: 9-nitrophenanthren-3-ol
Canonical SMILES: C1=CC=C2C(=C1)C(=CC3=C2C=C(C=C3)O)[N+](=O)[O-]
InChI: InChI=1/C14H9NO3/c16-10-6-5-9-7-14(15(17)18)12-4-2-1-3-11(12)13(9)8-10/
h1-8,16H
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