Free Chemical Databases
-
[Synonyms]
NSC167270
2-Phenylbicyclo[2.2.1]hept-5-en-2-ol
2-Exo-phenylbicyclo[2.2.1]hept-5-en-2-ol
[Structure]
[ Properties Computed from Structure]
Molecular Weight 186.24966 [g/mol] Molecular Formula C13H14O XLogP 2.2 H-Bond Donor 1 H-Bond Acceptor 1 Rotatable Bond Count 1 Exact Mass 186.104465 MonoIsotopic Mass 186.104465 Topological Polar Surface Area 20.2 Heavy Atom Count 14 Formal Charge 0 Complexity 252 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 3 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 6-phenylbicyclo[2.2.1]hept-2-en-6-ol
Canonical SMILES: C1C2CC(C1C=C2)(C3=CC=CC=C3)O
InChI: InChI=1/C13H14O/c14-13(11-4-2-1-3-5-11)9-10-6-7-12(13)8-10/h1-7,10,12,
14H,8-9H2
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