Benzene,1-(1,1-dime...

Benzene,1-(1,1-dimethylethyl)-4-[(2-methyl-2-propen-1-yl)oxy]-(CAS No. 54932-87-5)

Benzene,1-(1,1-dimethylethyl)-4-[(2-methyl-2-propen-1-yl)oxy]-(CAS No. 54932-87-5)

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Benzene,1-(1,1-dimethylethyl)-4-[(2-methyl-2-propen-1-yl)oxy]- 54932-87-5 98%

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

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Details:

【Name】
Benzene,1-(1,1-dimethylethyl)-4-[(2-methyl-2-propen-1-yl)oxy]-
【Iupac name】
1-tert-butyl-4-(2-methylprop-2-enoxy)benzene
【CAS Registry number】
54932-87-5
【Synonyms】
Benzene,1-(1,1-dimethylethyl)-4-[(2-methyl-2-propenyl)oxy]- (9CI)
NSC 403879
【Molecular Formula】
C14H20 O (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1/C14H20O/c1-11(2)10-15-13-8-6-12(7-9-13)14(3,4)5/h6-9H,1,10H2,2-5H3
【Canonical SMILES】
CC(=C)COC1=CC=C(C=C1)C(C)(C)C
【MOL File】
54932-87-5.mol
Chemical and Physical Properties
【Density】
0.909g/cm3
【Boiling Point】
281.3°C at 760 mmHg
【Refractive Index】
1.488
【Flash Point】
108.2°C
【Computed Properties】
Molecular Weight:204.308 [g/mol]
Molecular Formula:C14H20O
XLogP3-AA:4.8
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:4
Exact Mass:204.151415
MonoIsotopic Mass:204.151415
Topological Polar Surface Area:9.2
Heavy Atom Count:15
Formal Charge:0
Complexity:204
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:1
Effective Rotor Count:4
Conformer Sampling RMSD:0.6
CID Conformer Count:13

 

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