AG008O9W

76196-79-7 | 2-Cyano-5-ethoxycarbonylpyridine

AG008O9W

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CAS Number	76196-79-7
Catalog Number	AG008O9W(AGN-PC-00MHE8)
Chemical Name	2-Cyano-5-ethoxycarbonylpyridine
IUPAC Name	ethyl 6-cyanopyridine-3-carboxylate
InChI	InChI=1S/C9H8N2O2/c1-2-13-9(12)7-3-4-8(5-10)11-6-7/h3-4,6H,2H2,1H3
InChI Key	OAUYNMCBOPUJCL-UHFFFAOYSA-N
MDL Number	MFCD06637534
Molecular Formula	C9H8N2O2
Molecular Weight	176.1720
SMILES	O=C(OCC)C1=CN=C(C#N)C=C1
Synonyms	Ethyl 6-cyanonicotinate, 76196-79-7, 2-cyano-5-ethoxycarbonylpyridine, ETHYL 6-CYANOPYRIDINE-3-CARBOXYLATE, 3-Pyridinecarboxylicacid, 6-cyano-, ethyl ester, ethyl-6-cyanonicotinate, SCHEMBL3376117, AMPD00074, CTK5E2579, OAUYNMCBOPUJCL-UHFFFAOYSA-, DTXSID40540096, OAUYNMCBOPUJCL-UHFFFAOYSA-N, ethyl 6-cyano-3-pyridinecarboxylate, KS-00000N0B, ANW-46797, AR3383, MFCD06637534, ZINC15781617, AKOS006292056, 5-ethoxycarbonyl-2-pyridinecarbonitrile, ACN-051227, CS-W022716, AJ-67900, AK-53949, BC211803, DS-14308, AB0026615, ST2419373, TC-135542, 4CH-015144, AM20061494, W8320, InChI=1/C9H8N2O2/c1-2-13-9(12)7-3-4-8(5-10)11-6-7/h3-4,6H,2H2,1H3, Ethyl 6-cyanonicotite, 6-aminoquinolin-8-ol, 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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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