AG00EDR5

59944-76-2 | Thieno[2,3-b]pyridine-2-carboxylic acid

AG00EDR5

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CAS Number	59944-76-2
Catalog Number	AG00EDR5(AGN-PC-0LX5D3)
Chemical Name	Thieno[2,3-b]pyridine-2-carboxylic acid
IUPAC Name	thieno[2,3-b]pyridine-2-carboxylic acid
InChI	InChI=1S/C8H5NO2S/c10-8(11)6-4-5-2-1-3-9-7(5)12-6/h1-4H,(H,10,11)
InChI Key	XGCSHAYMNOFFNA-UHFFFAOYSA-N
MDL Number	MFCD07371381
Molecular Formula	C8H5NO2S
Molecular Weight	179.1958
SMILES	O=C(C1=CC2=CC=CN=C2S1)O
Synonyms	thieno[2,3-b]pyridine-2-carboxylic acid, 59944-76-2, THIENO[2,3-B]PYRIDINE-2-CARBOXYLICACID, AC1OG6N6, SCHEMBL844336, 2-Carboxythieno[2,3-b]pyridine, CTK5B0739, KS-00001CIW, DTXSID90428153, XGCSHAYMNOFFNA-UHFFFAOYSA-N, ZINC4271725, MFCD07371381, SBB089541, AKOS000732794, 9P-510S, CM10774, MCULE-6946990257, PB30897, RP03154, VP11663, AJ-49992, AK161700, SC-71783, DB-027539, thiopheno[2,3-b]pyridine-2-carboxylic acid, TR-020759, 4CH-023211, FT-0680734, ST24050165, Y9581, Q-1240, HIENO[2,3-B]PYRIDINE-2-CARBOXYLIC ACID, I02-5122, J-524926, thieno[2,3-b]pyridine-2-carboxylic acid, AldrichCPR, Z2238508668, C8H5NO2S, ACN-040559, CID7162095, 7-thia-5-azabicyclo[4.3.0]nona-2,4,8,10-tetraene-8-carboxylic Acid,

Complexity	198
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.004g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	179.193g/mol
Monoisotopic Mass	179.004g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	78.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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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