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1018166-61-4 | 1H-Pyrazolo[3,4-b]pyridine-4-carboxylic acid, 6,7-dihydro-3-methyl-6-oxo-, ethyl ester
CAS No: 1018166-61-4 Catalog No: AG0005LT MDL No:
Product Description
Catalog Number:
AG0005LT
Chemical Name:
1H-Pyrazolo[3,4-b]pyridine-4-carboxylic acid, 6,7-dihydro-3-methyl-6-oxo-, ethyl ester
CAS Number:
1018166-61-4
Molecular Formula:
C10H11N3O3
Molecular Weight:
221.2126
IUPAC Name:
ethyl 3-methyl-6-oxo-2,7-dihydropyrazolo[3,4-b]pyridine-4-carboxylate
InChI:
InChI=1S/C10H11N3O3/c1-3-16-10(15)6-4-7(14)11-9-8(6)5(2)12-13-9/h4H,3H2,1-2H3,(H2,11,12,13,14)
InChI Key:
VMIXTAUMLHAMJV-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(=O)[nH]c2c1c(C)n[nH]2
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.08g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
221.216g/mol
Monoisotopic Mass:
221.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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