2,4,5,6(1H,3H)-Pyrimidinetetrone,1,3-dimethyl-, 5-oxime 5417-13-0 CAS NO.5417-13-0

Min.Order: 1 Gram
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Product Details

Keywords

2,4,5,6(1H,3H)-Pyrimidinetetrone,1,3-dimethyl-, 5-oxime
5417-13-0
98%

Quick Details

ProName: 2,4,5,6(1H,3H)-Pyrimidinetetrone,1,3-d...
CasNo: 5417-13-0
Molecular Formula: C6H7 N3 O4
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: as client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 10 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】
2,4,5,6(1H,3H)-Pyrimidinetetrone,1,3-dimethyl-, 5-oxime
【CAS Registry number】
5417-13-0
【Synonyms】
Alloxan,1,3-dimethyl-, 5-oxime (7CI,8CI)
Alloxan, dimethyl-, 5-oxime (6CI)
1,3-Dimethylvioluric acid
Dimethylvioluric acid
NSC 14273
NSC 7370
【Molecular Formula】
C6H7 N3 O4 (Products with the same molecular formula)
【Molecular Weight】
185.1375
【Inchi】
InChI=1S/C6H7N3O4/c1-8-4(10)3(7-13)5(11)9(2)6(8)12/h13H,1-2H3
【Canonical SMILES】
CN1C(=O)C(=NO)C(=O)N(C1=O)C
Chemical and Physical Properties
【Density】
1.61g/cm3
【Boiling Point】
312.4°Cat760mmHg
【Flash Point】
142.7°C
【Computed Properties】
Molecular Weight:185.13748 [g/mol]
Molecular Formula:C6H7N3O4
XLogP3-AA:0.2
H-Bond Donor:1
H-Bond Acceptor:5
Rotatable Bond Count:0
Tautomer Count:3
Exact Mass:185.043656
MonoIsotopic Mass:185.043656
Topological Polar Surface Area:90.3
Heavy Atom Count:13
Formal Charge:0
Complexity:296
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:4
Feature 3D Anion Count:2
Feature 3D Ring Count:1
Effective Rotor Count:0.4
Conformer Sampling RMSD:0.4
CID Conformer Count:1

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