7H-Pyrazolo[4,3-d]p...

7H-Pyrazolo[4,3-d]pyrimidin-7-one,1,6-dihydro-3-methyl- 5399-94-0

7H-Pyrazolo[4,3-d]pyrimidin-7-one,1,6-dihydro-3-methyl- 5399-94-0

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7H-Pyrazolo[4,3-d]pyrimidin-7-one,1,6-dihydro-3-methyl- 5399-94-0 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】
7H-Pyrazolo[4,3-d]pyrimidin-7-one,1,6-dihydro-3-methyl-
【CAS Registry number】
5399-94-0
【Synonyms】
1H-Pyrazolo[4,3-d]pyrimidin-7-ol,3-methyl- (6CI,8CI)
7-Hydroxy-3-methylpyrazolo[4,3-d]pyrimidine
NSC 4941
【Molecular Formula】
C6H6 N4 O (Products with the same molecular formula)
【Molecular Weight】
150.13804
【Inchi】
InChI=1/C6H6N4O/c1-3-4-5(10-9-3)6(11)8-2-7-4/h2H,1H3,(H,9,10)(H,7,8,11)
【Canonical SMILES】
CC1=C2C(=NN1)C(=O)N=CN2
【MOL File】
5399-94-0.mol
Chemical and Physical Properties
【Density】
1.72g/cm3
【Boiling Point】
423.4°C at 760 mmHg
【Refractive Index】
1.819
【Flash Point】
209.8°C
【Computed Properties】
Molecular Weight:150.13804 [g/mol]
Molecular Formula:C6H6N4O
XLogP3-AA:-0.3
H-Bond Donor:2
H-Bond Acceptor:2
Rotatable Bond Count:0
Tautomer Count:8
Exact Mass:150.054161
MonoIsotopic Mass:150.054161
Topological Polar Surface Area:70.1
Heavy Atom Count:11
Formal Charge:0
Complexity:215
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 Donor Count:3
Feature 3D Ring Count:2
Effective Rotor Count:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1

 

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