4,6-dimethyl-2-phenyl[1,3]oxazolo[5,4-d]pyrimidine-5,7(4H,6H)-dione 5429-33-4 CAS NO.5429-33-4

Min.Order: 1 Gram
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Product Details

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

ProName: 4,6-dimethyl-2-phenyl[1,3]oxazolo[5,4-...
CasNo: 5429-33-4
Molecular Formula: C13H11N3O3
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: according to client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 100 Kilogram/Month
Purity: 99%
Storage: room temperature
Transportation: as requested
LimitNum: 1 Gram
Heavy metal: N/A
Grade: Industrial Grade

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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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