6-(4-methoxyphenoxy...

6-(4-methoxyphenoxy)-5H-purine 5446-38-8

6-(4-methoxyphenoxy)-5H-purine 5446-38-8

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1 Gram

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  • Min.Order :1 Gram
  • Purity: 99%
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6-(4-methoxyphenoxy)-5H-purine 5446-38-8 98%

Quick Details

  • Appearance:Solid
  • Application:Organic Chemicals
  • PackAge:as requested
  • ProductionCapacity:10|Kilogram|Month
  • Storage:Room Temperature
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Details:

【Name】
6-(4-methoxyphenoxy)-5H-purine
【Iupac name】
6-(4-methoxyphenoxy)-7H-purine
【CAS Registry number】
5446-38-8
【Synonyms】
Purine, 6-(p-methoxyphenoxy)-
AC1LAVOM
6-(4-methoxyphenoxy)-7H-purine
NSC17217
NSC-17217
ZINC16758241
AKOS002203741
ST50139539
5446-38-8
【Molecular Formula】
C12H10N4O2 (Products with the same molecular formula)
【Molecular Weight】
242.2334
【Inchi】
InChI=1/C12H10N4O2/c1-17-8-2-4-9(5-3-8)18-12-10-11(14-6-13-10)15-7-16-12/h2-7,10H,1H3
【Canonical SMILES】
COC1=CC=C(C=C1)OC2=NC=NC3=C2NC=N3
【MOL File】
5446-38-8.mol
Chemical and Physical Properties
【Density】
1.41g/cm3
【Boiling Point】
382.1°C at 760 mmHg
【Refractive Index】
1.683
【Flash Point】
149.8°C
【Computed Properties】
Molecular Weight:242.2334 [g/mol]
Molecular Formula:C12H10N4O2
XLogP3:2.1
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:3
Tautomer Count:4
Exact Mass:242.080376
MonoIsotopic Mass:242.080376
Topological Polar Surface Area:72.9
Heavy Atom Count:18
Formal Charge:0
Complexity:271
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 Donor Count:1
Feature 3D Cation Count:2
Feature 3D Ring Count:3
Effective Rotor Count:3
Conformer Sampling RMSD:0.6
CID Conformer Count:16

 

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