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1256824-48-2 | 1H-Pyrazolo[3,4-b]pyridine-5-carboxylic acid, ethyl ester
CAS No: 1256824-48-2 Catalog No: AG000OFP MDL No:MFCD18260539
Product Description
Catalog Number:
AG000OFP
Chemical Name:
1H-Pyrazolo[3,4-b]pyridine-5-carboxylic acid, ethyl ester
CAS Number:
1256824-48-2
Molecular Formula:
C9H9N3O2
Molecular Weight:
191.1867
MDL Number:
MFCD18260539
IUPAC Name:
ethyl 1H-pyrazolo[3,4-b]pyridine-5-carboxylate
InChI:
InChI=1S/C9H9N3O2/c1-2-14-9(13)7-3-6-5-11-12-8(6)10-4-7/h3-5H,2H2,1H3,(H,10,11,12)
InChI Key:
DWBSMBXTDIFAGZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc2c(c1)cn[nH]2
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.19g/mol
Monoisotopic Mass:
191.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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