4,6-dimethyl-2-phen...

4,6-dimethyl-2-phenyl[1,3]oxazolo[5,4-d]pyrimidine-5,7(4H,6H)-dione 5429-33-4

4,6-dimethyl-2-phenyl[1,3]oxazolo[5,4-d]pyrimidine-5,7(4H,6H)-dione 5429-33-4

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1 Gram

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  • Min.Order :1 Gram
  • Purity: 99%
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Keywords

2,4-dimethyl-8-phenyl-9-oxa-2,4,7-triazabicyclo[4.3.0]nona-7,10-diene-3,5-dione 5429-33-4 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】
4,6-dimethyl-2-phenyl[1,3]oxazolo[5,4-d]pyrimidine-5,7(4H,6H)-dione
【Iupac name】
4,6-dimethyl-2-phenyl-[1,3]oxazolo[5,4-d]pyrimidine-5,7-dione
【CAS Registry number】
5429-33-4
【Synonyms】
4,6-Dimethyl-2-phenyl[1,3]oxazolo[5,4-d]pyrimidine-5,7(4H,6H)-dione
【Molecular Formula】
C13H11N3O3 (Products with the same molecular formula)
【Molecular Weight】
257.2447
【Inchi】
InChI=1/C13H11N3O3/c1-15-11(17)9-12(16(2)13(15)18)19-10(14-9)8-6-4-3-5-7-8/h3-7H,1-2H3
【Canonical SMILES】
CN1C2=C(C(=O)N(C1=O)C)N=C(O2)C3=CC=CC=C3
【MOL File】
5429-33-4.mol
Chemical and Physical Properties
【Density】
1.335g/cm3
【Boiling Point】
441.2°C at 760 mmHg
【Refractive Index】
1.596
【Flash Point】
220.6°C
【Computed Properties】
Molecular Weight:257.24474 [g/mol]
Molecular Formula:C13H11N3O3
XLogP3-AA:1.6
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:1
Exact Mass:257.080041
MonoIsotopic Mass:257.080041
Topological Polar Surface Area:66.6
Heavy Atom Count:19
Formal Charge:0
Complexity:395
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:2
Feature 3D Ring Count:3
Effective Rotor Count:1
Conformer Sampling RMSD:0.6
CID Conformer Count:1

 

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