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2942-43-0

2942-43-0 | 3H-Pyrazolo[3,4-b]pyridin-3-one, 1,2-dihydro-

CAS No: 2942-43-0 Catalog No: AG002YBM MDL No:MFCD03013435

Product Description

Catalog Number:
AG002YBM
Chemical Name:
3H-Pyrazolo[3,4-b]pyridin-3-one, 1,2-dihydro-
CAS Number:
2942-43-0
Molecular Formula:
C6H5N3O
Molecular Weight:
135.1234
MDL Number:
MFCD03013435
IUPAC Name:
1,2-dihydropyrazolo[3,4-b]pyridin-3-one
InChI:
InChI=1S/C6H5N3O/c10-6-4-2-1-3-7-5(4)8-9-6/h1-3H,(H2,7,8,9,10)
InChI Key:
RCCFHRZLFPMPNI-UHFFFAOYSA-N
SMILES:
O=c1[nH][nH]c2c1cccn2
NSC Number:
127448

Properties

Complexity:
159  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.043g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
135.126g/mol
Monoisotopic Mass:
135.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  

Literature

Title Journal
Reaction cascades initiated by nucleophilic attack of heteropentalene mesomeric betaine and nitrogen-rich mesoionic tetrazolium-5-amides on electron-deficient unsaturated compounds. Synthesis of novel heterocyclic systems. Organic & biomolecular chemistry 20030321

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