4,4-dimethyl-1,1-di...

4,4-dimethyl-1,1-diphenylpentan-3-one 5333-12-0

4,4-dimethyl-1,1-diphenylpentan-3-one 5333-12-0

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  • Purity: 99%
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4,4-dimethyl-1,1-diphenyl-pentan-3-one 5333-12-0 98%

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  • Appearance:Solid
  • Application:Organic Chemicals
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  • ProductionCapacity:100|Kilogram|Month
  • Storage:room temp
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Details:

Identification and Related Records
【Name】
4,4-dimethyl-1,1-diphenylpentan-3-one
【CAS Registry number】
5333-12-0
【Synonyms】
4,4-dimethyl-1,1-diphenylpentan-3-one
NSC600
AC1Q5GWM
AC1L56NL
NSC-600
4,1-DIPHENYL-3-PENTANONE
AR-1F7888
【Molecular Formula】
C19H22O (Products with the same molecular formula)
【Molecular Weight】
266.3774
【Inchi】
InChI=1/C19H22O/c1-19(2,3)18(20)14-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,17H,14H2,1-3H3
【Canonical SMILES】
CC(C)(C)C(=O)CC(C1=CC=CC=C1)C2=CC=CC=C2
【MOL File】
5333-12-0.mol
Chemical and Physical Properties
【Density】
1.002g/cm3
【Boiling Point】
364.2°C at 760 mmHg
【Refractive Index】
1.539
【Flash Point】
130.1°C
【Computed Properties】
Molecular Weight:266.37738 [g/mol]
Molecular Formula:C19H22O
XLogP3-AA:4.7
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:5
Tautomer Count:2
Exact Mass:266.167065
MonoIsotopic Mass:266.167065
Topological Polar Surface Area:17.1
Heavy Atom Count:20
Formal Charge:0
Complexity:282
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 Hydrophobe Count:1
Feature 3D Ring Count:2
Effective Rotor Count:5
Conformer Sampling RMSD:0.8
CID Conformer Count:12

 

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