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Chemical Product CAS:5878-82-04'-phenyl-1'-(3-phenylacryloyl)-3'-(phenylcarbonyl)spiro[indole-3,2'-pyrrolidin]-2(1H)-one


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4'-phenyl-1'-(3-phenylacryloyl)-3'-(phenylcar ( CASNO:5878-82-0 )

Identification and Related Records
CAS Registry number:
Iupac name:
Molecular Formula:
Molecular Weight:
Canonical SMILES:
Chemical and Physical Properties
Boiling Point:
773.2°C at 760 mmHg
Refractive Index:
Flash Point:
Computed Properties:
Molecular Weight:498.57114 [g/mol]
Molecular Formula:C33H26N2O3
H-Bond Donor:1
H-Bond Acceptor:3
Rotatable Bond Count:5
Tautomer Count:4
Exact Mass:498.194343
MonoIsotopic Mass:498.194343
Topological Polar Surface Area:66.5
Heavy Atom Count:38
Formal Charge:0
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:3
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Donor Count:1
Feature 3D Ring Count:6
Effective Rotor Count:7
Conformer Sampling RMSD:1
CID Conformer Count:174
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