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1246552-63-5 | 1H-Pyrazolo[3,4-b]pyridine-4-carboxylic acid, 6,7-dihydro-6-oxo-, ethyl ester
CAS No: 1246552-63-5 Catalog No: AG000MJ8 MDL No:MFCD18253854
Product Description
Catalog Number:
AG000MJ8
Chemical Name:
1H-Pyrazolo[3,4-b]pyridine-4-carboxylic acid, 6,7-dihydro-6-oxo-, ethyl ester
CAS Number:
1246552-63-5
Molecular Formula:
C9H9N3O3
Molecular Weight:
207.1861
MDL Number:
MFCD18253854
IUPAC Name:
ethyl 6-oxo-1,7-dihydropyrazolo[3,4-b]pyridine-4-carboxylate
InChI:
InChI=1S/C9H9N3O3/c1-2-15-9(14)5-3-7(13)11-8-6(5)4-10-12-8/h3-4H,2H2,1H3,(H2,10,11,12,13)
InChI Key:
KECQKNGBRNTZCJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(=O)[nH]c2c1cn[nH]2
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
207.189g/mol
Monoisotopic Mass:
207.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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