Free Chemical Databases
-
[Synonyms]
NSC97784
[Structure]
[ Properties Computed from Structure]
Molecular Weight 216.27564 [g/mol] Molecular Formula C14H16O2 XLogP 3.3 H-Bond Donor 1 H-Bond Acceptor 2 Rotatable Bond Count 3 Exact Mass 216.11503 MonoIsotopic Mass 216.11503 Topological Polar Surface Area 37.3 Heavy Atom Count 16 Formal Charge 0 Complexity 285 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-phenyl-1-cyclohexenyl)acetic acid
Canonical SMILES: C1CCC(=C(C1)CC(=O)O)C2=CC=CC=C2
InChI: InChI=1/C14H16O2/c15-14(16)10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-3,
6-7H,4-5,8-10H2,(H,15,16)/f/h15H
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