AG00IJXG

97316-50-2 | 2-Pyridinecarboxylic acid, 4-cyano-, ethyl ester

AG00IJXG

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CAS Number	97316-50-2
Catalog Number	AG00IJXG(AGN-PC-00MQV4)
Chemical Name	2-Pyridinecarboxylic acid, 4-cyano-, ethyl ester
IUPAC Name	ethyl 4-cyanopyridine-2-carboxylate
InChI	InChI=1S/C9H8N2O2/c1-2-13-9(12)8-5-7(6-10)3-4-11-8/h3-5H,2H2,1H3
InChI Key	YJZQRRZEDGIEFC-UHFFFAOYSA-N
MDL Number	MFCD09152770
Molecular Formula	C9H8N2O2
Molecular Weight	176.1720
SMILES	O=C(C1=NC=CC(C#N)=C1)OCC
Synonyms	ethyl 4-cyanopicolinate, 97316-50-2, ethyl 4-cyano-2-pyridinecarboxylate, ethyl 4-cyanopyridine-2-carboxylate, 4-cyano-2-pyridinecarboxylic acid ethyl ester, SCHEMBL3077434, 2-ethoxycarbonyl-4-cyanopyridine, 4-cyano-2-ethoxycarbonylpyridine, CTK5H9219, DTXSID00541862, YJZQRRZEDGIEFC-UHFFFAOYSA-N, 4553AF, MFCD09152770, ZINC12336452, AKOS005071845, BB-0602, MCULE-7560425487, RP10706, VP11686, KS-00000G73, AK398384, QC-11381, AB0098414, TR-030215, CS-0085180, FT-0680836, 4-Cyanopyridine-2-carboxylic acid ethyl ester, 2-Pyridinecarboxylic acid, 4-cyano-, ethyl ester, I02-4132, J-521006, C9H8N2O2,

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	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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