AG000OFP

1256824-48-2 | 1H-Pyrazolo[3,4-b]pyridine-5-carboxylic acid, ethyl ester

AG000OFP

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CAS Number	1256824-48-2
Catalog Number	AG000OFP(AGN-PC-09YPSK)
Chemical Name	1H-Pyrazolo[3,4-b]pyridine-5-carboxylic acid, ethyl ester
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
MDL Number	MFCD18260539
Molecular Formula	C9H9N3O2
Molecular Weight	191.1867
SMILES	O=C(C1=CN=C(NN=C2)C2=C1)OCC
Synonyms	ETHYL 1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXYLATE, 1256824-48-2, SCHEMBL1578883, 4012AJ, MFCD18260539, ZINC97758561, 5-carbethoxy-pyrazolo[3,4-b]pyridine, AKOS024260839, AS-42859, SC-48919, AJ-138492, 1H-Pyrazolo[3,4-b]pyridine-5-carboxylic acid, ethy, 1H-Pyrazolo3,4-bpyridine-5-carboxylic acid ethyl ester, Z2568757957, 1H-Pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester, 1H-Pyrazolo[3,4-b]pyridine-5-carboxylic acid, ethyl ester, C9H9N3O2,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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