4-methylpentan-2-yl...

4-methylpentan-2-yl 4-hydroxy-3,5-dimethoxybenzoate 5438-60-8

4-methylpentan-2-yl 4-hydroxy-3,5-dimethoxybenzoate 5438-60-8

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1 Gram

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  • Min.Order :1 Gram
  • Purity: 99%
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4-methylpentan-2-yl 4-hydroxy-3,5-dimethoxy-benzoate 5438-60-8 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】
4-methylpentan-2-yl 4-hydroxy-3,5-dimethoxybenzoate
【CAS Registry number】
5438-60-8
【Synonyms】
4-methylpentan-2-yl 4-hydroxy-3,5-dimethoxybenzoate
NSC16717
AC1L5EOZ
AC1Q5XYI
AR-1G3772
NSC-16717
【Molecular Formula】
C15H22O5 (Products with the same molecular formula)
【Molecular Weight】
282.3322
【Inchi】
InChI=1/C15H22O5/c1-9(2)6-10(3)20-15(17)11-7-12(18-4)14(16)13(8-11)19-5/h7-10,16H,6H2,1-5H3
【Canonical SMILES】
CC(C)CC(C)OC(=O)C1=CC(=C(C(=C1)OC)O)OC
【MOL File】
5438-60-8.mol
Chemical and Physical Properties
【Density】
1.098g/cm3
【Boiling Point】
393.9°C at 760 mmHg
【Refractive Index】
1.505
【Flash Point】
138.3°C
【Computed Properties】
Molecular Weight:282.33218 [g/mol]
Molecular Formula:C15H22O5
XLogP3:3.5
H-Bond Donor:1
H-Bond Acceptor:5
Rotatable Bond Count:7
Tautomer Count:4
Exact Mass:282.146724
MonoIsotopic Mass:282.146724
Topological Polar Surface Area:65
Heavy Atom Count:20
Formal Charge:0
Complexity:291
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Donor Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:1
Effective Rotor Count:7
Conformer Sampling RMSD:0.8
CID Conformer Count:28

 

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