2,2-dimethyl-5-phen...

2,2-dimethyl-5-phenylcyclohexane-1,3-dione 5434-98-0

2,2-dimethyl-5-phenylcyclohexane-1,3-dione 5434-98-0

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1 Gram

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  • Min.Order :1 Gram
  • Purity: 99%
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2,2-dimethyl-5-phenyl-cyclohexane-1,3-dione 5434-98-0 98%

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:

【Name】
2,2-dimethyl-5-phenylcyclohexane-1,3-dione
【Iupac name】
2,2-dimethyl-5-phenylcyclohexane-1,3-dione
【CAS Registry number】
5434-98-0
【Synonyms】
2,2-dimethyl-5-phenylcyclohexane-1,3-dione
5434-98-0
NSC15151
AC1Q6KQF
AC1L5E56
AR-1D1522
NSC-15151
2,2-Dimethyl-5-phenyl-cyclohexane-1,3-dione
【Molecular Formula】
C14H16O2 (Products with the same molecular formula)
【Molecular Weight】
216.2756
【Inchi】
InChI=1/C14H16O2/c1-14(2)12(15)8-11(9-13(14)16)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3
【Canonical SMILES】
CC1(C(=O)CC(CC1=O)C2=CC=CC=C2)C
【MOL File】
5434-98-0.mol
Chemical and Physical Properties
【Density】
1.07g/cm3
【Boiling Point】
356.6°C at 760 mmHg
【Refractive Index】
1.522
【Flash Point】
133.8°C
【Computed Properties】
Molecular Weight:216.27564 [g/mol]
Molecular Formula:C14H16O2
XLogP3-AA:2.3
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:1
Tautomer Count:3
Exact Mass:216.11503
MonoIsotopic Mass:216.11503
Topological Polar Surface Area:34.1
Heavy Atom Count:16
Formal Charge:0
Complexity:278
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:2
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:2
Effective Rotor Count:1.8
Conformer Sampling RMSD:0.6
CID Conformer Count:5

 

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