Free Chemical Databases
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[Synonyms]
Methanone,1-azulenylphenyl-
Methanone, 1-azulenylphenyl-
38717-96-3
[Structure]
[ Properties Computed from Structure]
Molecular Weight 232.27658 [g/mol] Molecular Formula C17H12O XLogP 4.8 H-Bond Donor 0 H-Bond Acceptor 1 Rotatable Bond Count 2 Exact Mass 232.088815 MonoIsotopic Mass 232.088815 Topological Polar Surface Area 17.1 Heavy Atom Count 18 Formal Charge 0 Complexity 290 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: azulen-1-yl-phenylmethanone
Canonical SMILES: C1=CC=C2C=CC(=C2C=C1)C(=O)C3=CC=CC=C3
InChI: InChI=1/C17H12O/c18-17(14-8-4-1-5-9-14)16-12-11-13-7-3-2-6-10-15(13)16/
h1-12H
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