AG005PTB

72716-86-0 | 2-Methoxyisonicotinonitrile

AG005PTB

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CAS Number	72716-86-0
Catalog Number	AG005PTB(AGN-PC-0LXLEK)
Chemical Name	2-Methoxyisonicotinonitrile
IUPAC Name	2-methoxypyridine-4-carbonitrile
InChI	InChI=1S/C7H6N2O/c1-10-7-4-6(5-8)2-3-9-7/h2-4H,1H3
InChI Key	NZAZWLSRKMDRNS-UHFFFAOYSA-N
MDL Number	MFCD06659893
Molecular Formula	C7H6N2O
Molecular Weight	134.1353
SMILES	N#CC1=CC=NC(OC)=C1
Synonyms	2-methoxyisonicotinonitrile, 72716-86-0, 4-CYANO-2-METHOXYPYRIDINE, 2-methoxypyridine-4-carbonitrile, 4-Pyridinecarbonitrile, 2-methoxy-, ACMC-1BDPI, AC1OH3CR, AC1Q4FAZ, 2-methoxy-4-cyanopyridine, 2-methoxy-isonicotinonitrile, SCHEMBL447719, 2-methoxy-4-pyridinecarbonitrile, CTK5D6691, KS-00002AFC, DTXSID20428404, NZAZWLSRKMDRNS-UHFFFAOYSA-N, 4-Pyridinecarbonitrile,2-methoxy-, ZINC4352774, ANW-36240, MFCD06659893, SBB055533, 2-(Methyloxy)-4-pyridinecarbonitrile, AKOS000198191, AC-9303, AN-7117, MCULE-6556489576, PB24932, PS-5443, QC-6558, RP01026, AJ-50832, AK-29476, AM804290, CJ-11988, AB0042072, DB-004968, TR-023709, 4CH-021298, CS-0005483, FT-0646508, ST24040793, Y9925, EN300-27263, A-2081, 716C860, A837601, I02-0777, J-509881, Z235344767, C7H6N2O, ZINC04352774, ACN-028080, CID7204887,

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	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number