AG00946Z

1112851-31-6 | 5,6-Dimethoxynicotinonitrile

AG00946Z

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CAS Number	1112851-31-6
Catalog Number	AG00946Z(AGN-PC-0WAAXP)
Chemical Name	5,6-Dimethoxynicotinonitrile
IUPAC Name	5,6-dimethoxypyridine-3-carbonitrile
InChI	InChI=1S/C8H8N2O2/c1-11-7-3-6(4-9)5-10-8(7)12-2/h3,5H,1-2H3
InChI Key	NSGJRTBSLYQQTP-UHFFFAOYSA-N
MDL Number	MFCD11857660
Molecular Formula	C8H8N2O2
Molecular Weight	164.1613
SMILES	N#CC1=CN=C(OC)C(OC)=C1
Synonyms	5,6-Dimethoxynicotinonitrile, 1112851-31-6, 5,6-dimethoxypyridine-3-carbonitrile, AC1Q472Q, SCHEMBL1849319, CTK6J5190, DTXSID70673846, NSGJRTBSLYQQTP-UHFFFAOYSA-N, ACMC-209996, ANW-16264, MFCD11857660, ZINC35270400, AKOS006344799, RTR-057514, 5,6-Dimethoxynicotinonitrile, AldrichCPR, TR-057514, CS-0091264, Z7347, A-5953, C8H8N2O2,

Complexity	187
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	164.059g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	164.164g/mol
Monoisotopic Mass	164.059g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P301+P310
UN Code	UN 2811

Certificate of Analysis

Lot Number