2,4,6-Cycloheptatri...

2,4,6-Cycloheptatrien-1-one,2-hydroxy-3,7-bis(phenylmethyl)- 52955-60-9

2,4,6-Cycloheptatrien-1-one,2-hydroxy-3,7-bis(phenylmethyl)- 52955-60-9

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1 Gram

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  • Min.Order :1 Gram
  • Purity: 99%
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Keywords

2,4,6-Cycloheptatrien-1-one,2-hydroxy-3,7-bis(phenylmethyl)- 2,4,6-Cycloheptatrien-1-one,2-hydroxy-3,7-bis(phenylmethyl)- 52955-60-9

Quick Details

  • Appearance:Solid
  • Application:Organic Chemicals
  • PackAge:as requested
  • ProductionCapacity:100|Kilogram|Month
  • Storage:room temperature
  • Transportation:as requested

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Details:

Identification and Related Records
【Name】
2,4,6-Cycloheptatrien-1-one,2-hydroxy-3,7-bis(phenylmethyl)-
【Iupac name】
3,7-dibenzyl-2-hydroxycyclohepta-2,4,6-trien-1-one
【CAS Registry number】
52955-60-9
【Synonyms】
2,4,6-Cycloheptatrien-1-one,3,7-dibenzyl-2-hydroxy- (5CI)
3,7-Dibenzyl tropolone
NSC 100259
【Molecular Formula】
C21H18 O2 (Products with the same molecular formula)
【Molecular Weight】
302.3664
【Inchi】
InChI=1/C21H18O2/c22-20-18(14-16-8-3-1-4-9-16)12-7-13-19(21(20)23)15-17-10-5-2-6-11-17/h1-13H,14-15H2,(H,22,23)
【Canonical SMILES】
C1=CC=C(C=C1)CC2=C(C(=O)C(=CC=C2)CC3=CC=CC=C3)O
Chemical and Physical Properties
【Density】
1.218g/cm3
【Boiling Point】
513.7°Cat760mmHg
【Refractive Index】
1.655
【Flash Point】
217.3°C
【Computed Properties】
Molecular Weight:302.36642 [g/mol]
Molecular Formula:C21H18O2
XLogP3-AA:4.9
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:4
Tautomer Count:14
Exact Mass:302.13068
MonoIsotopic Mass:302.13068
Topological Polar Surface Area:37.3
Heavy Atom Count:23
Formal Charge:0
Complexity:512
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:1
Feature 3D Ring Count:3
Effective Rotor Count:4
Conformer Sampling RMSD:0.8
CID Conformer Count:34

 

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