AG00BFCQ

298204-74-7 | 3-Pyridinecarbonitrile,5-methoxy-(9CI)

AG00BFCQ

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CAS Number	298204-74-7
Catalog Number	AG00BFCQ(AGN-PC-03ZDTB)
Chemical Name	3-Pyridinecarbonitrile,5-methoxy-(9CI)
IUPAC Name	5-methoxypyridine-3-carbonitrile
InChI	InChI=1S/C7H6N2O/c1-10-7-2-6(3-8)4-9-5-7/h2,4-5H,1H3
InChI Key	DMLPQTWDFZCDTJ-UHFFFAOYSA-N
MDL Number	MFCD09909444
Molecular Formula	C7H6N2O
Molecular Weight	134.1353
SMILES	N#CC1=CN=CC(OC)=C1
Synonyms	5-Methoxynicotinonitrile, 298204-74-7, 5-methoxypyridine-3-carbonitrile, 3-CYANO-5-METHOXYPYRIDINE, PubChem16544, 3-Cyano-5-methoxypyridin, ACMC-209hb8, AC1Q4F5W, SCHEMBL1501661, 5-methoxy-3-pyridinecarbonitrile, CTK7B1874, DTXSID00631116, DMLPQTWDFZCDTJ-UHFFFAOYSA-N, 5-Methoxynicotinonitrile, AldrichCPR, ANW-26706, MFCD09909444, ZINC35270281, AKOS006310552, RP20112, RTR-012902, 3-Pyridinecarbonitrile,5-methoxy-(9CI), AJ-91103, AK-34576, CJ-18700, DS-12587, SC-60304, DB-082187, TR-012902, CS-0082366, FT-0678836, X2100, A-6424, A820063, J-517705, I14-29005, C7H6N2O, 3-Pyridinecarbonitrile, 5-methoxy- (9CI),

Complexity	149
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	134.048g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	134.138g/mol
Monoisotopic Mass	134.048g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	45.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H317-H319
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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