AG0073D8

41051-03-0 | Ethyl 5-cyanopicolinate

AG0073D8

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CAS Number	41051-03-0
Catalog Number	AG0073D8(AGN-PC-0OA9C7)
Chemical Name	Ethyl 5-cyanopicolinate
IUPAC Name	ethyl 5-cyanopyridine-2-carboxylate
InChI	InChI=1S/C9H8N2O2/c1-2-13-9(12)8-4-3-7(5-10)6-11-8/h3-4,6H,2H2,1H3
InChI Key	GXSJSHGZQTWJLG-UHFFFAOYSA-N
MDL Number	MFCD09152772
Molecular Formula	C9H8N2O2
Molecular Weight	176.1720
SMILES	N#CC1=CN=C(C(OCC)=O)C=C1
Synonyms	41051-03-0, Ethyl 5-cyanopicolinate, ethyl 5-cyano-2-pyridinecarboxylate, ethyl 5-cyanopyridine-2-carboxylate, ethylcyanopyridinecarboxylate, 2-Pyridinecarboxylicacid, 5-cyano-, ethyl ester, SCHEMBL2333525, CTK4I4200, DTXSID80496467, MFCD09152772, ZINC12336455, AKOS005071856, BB-0605, MCULE-8213474845, QC-6484, RP10704, SB21174, KS-000022T1, AJ-60893, DA-16981, TR-016335, 2-Pyridinecarboxylicacid,5-cyano-,ethylester, FT-0680838, 5-Cyano-pyridine-2-carboxylic acid ethyl ester, 2-Pyridinecarboxylic acid, 5-cyano-, ethyl ester, I02-4138, J-521133,

Complexity	231
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	176.059g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	176.175g/mol
Monoisotopic Mass	176.059g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	63A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number