AG005M2A

75358-90-6 | Ethyl 2-cyanonicotinate

AG005M2A

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CAS Number	75358-90-6
Catalog Number	AG005M2A(AGN-PC-0NK4CQ)
Chemical Name	Ethyl 2-cyanonicotinate
IUPAC Name	ethyl 2-cyanopyridine-3-carboxylate
InChI	InChI=1S/C9H8N2O2/c1-2-13-9(12)7-4-3-5-11-8(7)6-10/h3-5H,2H2,1H3
InChI Key	KOAWFXMHARNHJY-UHFFFAOYSA-N
MDL Number	MFCD07368152
Molecular Formula	C9H8N2O2
Molecular Weight	176.1720
SMILES	O=C(OCC)C1=C(C#N)N=CC=C1
Synonyms	Ethyl 2-cyanonicotinate, 75358-90-6, Ethyl 2-cyanopyridine-3-carboxylate, ethyl 2-cyano-3-pyridinecarboxylate, AK-53948, 3-Pyridinecarboxylic acid, 2-cyano-, ethyl ester, KSC641I7N, SCHEMBL2800784, CTK5E1476, DTXSID60508779, KOAWFXMHARNHJY-UHFFFAOYSA-N, KS-00000G6A, ZX-RL004005, ANW-46798, FCH855167, MFCD07368152, ZINC21985503, AKOS006285064, AB31816, ACN-051226, AC-14850, AJ-79358, CJ-17095, DA-03645, DS-14307, OR301301, Ethyl 2-cyanopyridine-3-carboxylate, 97%, AX8128294, TC-135543, FT-0693305, ST24030510, W8273, 2-CYANO-3-PYRIDINECARBOXYLIC ACID ETHYL ESTER, F9995-2554, Ethyl 2-cyanonicotite, C9H8N2O2, (1H-Benzotriazole-1-yl)methanol,

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	1.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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