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Chemical Product CAS:99518-94-24-phenyl-3-(pyrrolidin-1-ylmethyl)dihydrofuran-2(3H)-one


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4-phenyl-3-(pyrrolidin-1-ylmethyl)dihydrofura ( CASNO:99518-94-2 )

Identification and Related Records
CAS Registry number:
2(3H)-Furanone, dihydro-4-phenyl-3-(1-pyrrolidinylmethyl)-
Molecular Formula:
Molecular Weight:
Chemical and Physical Properties
Boiling Point:
412°C at 760 mmHg
Refractive Index:
Flash Point:
Computed Properties:
Molecular Weight:245.31686 [g/mol]
Molecular Formula:C15H19NO2
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:3
Tautomer Count:2
Exact Mass:245.141579
MonoIsotopic Mass:245.141579
Topological Polar Surface Area:29.5
Heavy Atom Count:18
Formal Charge:0
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Cation Count:1
Feature 3D Ring Count:3
Effective Rotor Count:4.8
Conformer Sampling RMSD:0.6
CID Conformer Count:25
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