Benzeneacetic acid,...

Benzeneacetic acid, a-phenyl-, 1,1-dimethylethyl ester 5350-81-2

Benzeneacetic acid, a-phenyl-, 1,1-dimethylethyl ester 5350-81-2

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1 Gram

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Keywords

Benzeneacetic acid, a-phenyl-, 1,1-dimethylethyl ester 5350-81-2 C18H20 O2

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】
Benzeneacetic acid, a-phenyl-, 1,1-dimethylethyl ester
【Iupac name】
tert-butyl 2,2-diphenylacetate
【CAS Registry number】
5350-81-2
【Synonyms】
Aceticacid, diphenyl-, tert-butyl ester (6CI)
NSC 68
tert-Butyl diphenylacetate
【Molecular Formula】
C18H20 O2 (Products with the same molecular formula)
【Molecular Weight】
268.3502
【Inchi】
InChI=1/C18H20O2/c1-18(2,3)20-17(19)16(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13,16H,1-3H3
【Canonical SMILES】
CC(C)(C)OC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2
Chemical and Physical Properties
【Density】
1.049g/cm3
【Boiling Point】
356.8°Cat760mmHg
【Refractive Index】
1.542
【Flash Point】
124°C
【Computed Properties】
Molecular Weight:268.3502 [g/mol]
Molecular Formula:C18H20O2
XLogP3:4.4
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:5
Exact Mass:268.14633
MonoIsotopic Mass:268.14633
Topological Polar Surface Area:26.3
Heavy Atom Count:20
Formal Charge:0
Complexity:286
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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