3-(diphenylmethyl)b...

3-(diphenylmethyl)bicyclo[2.2.2]octan-2-one(CAS No. 56326-76-2)

3-(diphenylmethyl)bicyclo[2.2.2]octan-2-one(CAS No. 56326-76-2)

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7-benzhydrylbicyclo[2.2.2]octan-8-one 56326-76-2 98%

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  • Appearance:Solid
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Details:

【Name】
3-(diphenylmethyl)bicyclo[2.2.2]octan-2-one
【Iupac name】
2-benzhydrylbicyclo[2.2.2]octan-3-one
【CAS Registry number】
56326-76-2
【Synonyms】
NSC328191
AC1L7AN0
NSC-328191
2-benzhydrylbicyclo[2.2.2]octan-3-one
56326-76-2
【Molecular Formula】
C21H22O (Products with the same molecular formula)
【Molecular Weight】
290.3988
【Inchi】
InChI=1/C21H22O/c22-21-18-13-11-17(12-14-18)20(21)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-20H,11-14H2
【Canonical SMILES】
C1CC2CCC1C(C2=O)C(C3=CC=CC=C3)C4=CC=CC=C4
Chemical and Physical Properties
【Density】
1.11g/cm3
【Boiling Point】
430°C at 760 mmHg
【Refractive Index】
1.593
【Flash Point】
187°C
【Computed Properties】
Molecular Weight:290.39878 [g/mol]
Molecular Formula:C21H22O
XLogP3-AA:5
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:3
Tautomer Count:2
Exact Mass:290.167065
MonoIsotopic Mass:290.167065
Topological Polar Surface Area:17.1
Heavy Atom Count:22
Formal Charge:0
Complexity:363
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Ring Count:3
Effective Rotor Count:4
Conformer Sampling RMSD:0.6
CID Conformer Count:3

 

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