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Chemical Product CAS:63335-23-91-(2,6-Dihydroxyphenyl)-9-phenyl-1-nonanone


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1-(2,6-Dihydroxyphenyl)-9-phenyl-1-nonanone ( CASNO:63335-23-9 )

Identification and Related Records
CAS Registry number:
Iupac name:
Malabaricone A
Molecular Formula:
Molecular Weight:
Canonical SMILES:
Chemical and Physical Properties
Boiling Point:
488.1°C at 760 mmHg
Refractive Index:
Flash Point:
Computed Properties:
Molecular Weight:326.42934 [g/mol]
Molecular Formula:C21H26O3
H-Bond Donor:2
H-Bond Acceptor:3
Rotatable Bond Count:10
Tautomer Count:12
Exact Mass:326.188195
MonoIsotopic Mass:326.188195
Topological Polar Surface Area:57.5
Heavy Atom Count:24
Formal Charge:0
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
Feature 3D Acceptor Count:1
Feature 3D Donor Count:2
Feature 3D Ring Count:2
Effective Rotor Count:10
Conformer Sampling RMSD:1
CID Conformer Count:474
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