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

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

  • CAS No:

    99518-94-2
  • Name:

    4-phenyl-3-(pyrrolidin-1-ylmethyl)dihydrofuran-2(3H)-one
  • Molecular Formula:

    C15H19NO2
  • Molecular Weight:

    245.3169
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4-phenyl-3-(pyrrolidin-1-ylmethyl)dihydrofura ( CASNO:99518-94-2 )

Identification and Related Records
Name:
4-phenyl-3-(pyrrolidin-1-ylmethyl)dihydrofuran-2(3H)-one
CAS Registry number:
99518-94-2
Synonyms:
alpha-Pyrrolidinemethyl-beta-phenyltetrahydrofuran-2-one
Dihydro-4-phenyl-3-(1-pyrrolidinylmethyl)-2(3H)-furanone
2(3H)-Furanone, dihydro-4-phenyl-3-(1-pyrrolidinylmethyl)-
AC1MI4RZ
LS-70467
4-phenyl-3-(pyrrolidin-1-ylmethyl)oxolan-2-one
Molecular Formula:
C15H19NO2
Molecular Weight:
245.3169
Inchi:
InChI=1/C15H19NO2/c17-15-13(10-16-8-4-5-9-16)14(11-18-15)12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2
Chemical and Physical Properties
Density:
1.147g/cm3
Boiling Point:
412°C at 760 mmHg
Refractive Index:
1.561
Flash Point:
158.6°C
Computed Properties:
Molecular Weight:245.31686 [g/mol]
Molecular Formula:C15H19NO2
XLogP3-AA:2.1
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
Complexity:293
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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