9-phenyl-7,9-dihydr...

9-phenyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione 5443-39-0

9-phenyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione 5443-39-0

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Keywords

9-phenyl-3,7-dihydropurine-2,6,8-trione 5443-39-0 98%

Quick Details

  • Appearance:powder
  • Application:Organic Chemicals
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  • ProductionCapacity:10|Kilogram|Month
  • Storage:Room Temperature
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Details:

【Name】
9-phenyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione
【CAS Registry number】
5443-39-0
【Synonyms】
MLS002638700
9-phenyl-7,9-dihydro-1h-purine-2,6,8(3h)-trione
NSC19650
AC1L5FOJ
AC1Q6FWA
HMS3086B05
AR-1H5994
NSC-19650
SMR001548170
9-phenyl-3,7-dihydropurine-2,6,8-trione
【Molecular Formula】
C11H8N4O3 (Products with the same molecular formula)
【Molecular Weight】
244.2062
【Inchi】
InChI=1/C11H8N4O3/c16-9-7-8(13-10(17)14-9)15(11(18)12-7)6-4-2-1-3-5-6/h1-5H,(H,12,18)(H2,13,14,16,17)
【Canonical SMILES】
C1=CC=C(C=C1)N2C3=C(C(=O)NC(=O)N3)NC2=O
【MOL File】
5443-39-0.mol
Chemical and Physical Properties
【Density】
1.64g/cm3
【Boiling Point】
°Cat760mmHg
【Refractive Index】
1.748
【Flash Point】
°C
【Computed Properties】
Molecular Weight:244.20622 [g/mol]
Molecular Formula:C11H8N4O3
XLogP3:0.5
H-Bond Donor:3
H-Bond Acceptor:3
Rotatable Bond Count:1
Tautomer Count:18
Exact Mass:244.05964
MonoIsotopic Mass:244.05964
Topological Polar Surface Area:90.5
Heavy Atom Count:18
Formal Charge:0
Complexity:465
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:3
Feature 3D Donor Count:3
Feature 3D Ring Count:3
Effective Rotor Count:1
Conformer Sampling RMSD:0.6
CID Conformer Count:1

 

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