AG0047J4

88946-67-2 | 1,2-Benzenedicarbonitrile, 4,5-dimethoxy-

AG0047J4

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CAS Number	88946-67-2
Catalog Number	AG0047J4(AGN-PC-0NC3OH)
Chemical Name	1,2-Benzenedicarbonitrile, 4,5-dimethoxy-
IUPAC Name	4,5-dimethoxybenzene-1,2-dicarbonitrile
InChI	InChI=1S/C10H8N2O2/c1-13-9-3-7(5-11)8(6-12)4-10(9)14-2/h3-4H,1-2H3
InChI Key	BDSTWWJVHJRQHV-UHFFFAOYSA-N
MDL Number	MFCD27931583
Molecular Formula	C10H8N2O2
Molecular Weight	188.1827
SMILES	COc1cc(C#N)c(cc1OC)C#N
Synonyms	4,5-dimethoxyphthalonitrile, 88946-67-2, 1,2-Benzenedicarbonitrile, 4,5-dimethoxy-, ACMC-20lf73, SCHEMBL4258349, CTK3A4687, DTXSID00446787, BDSTWWJVHJRQHV-UHFFFAOYSA-N, 1.2-dicyano-4.5 dimethoxybenzene, AKOS022642690, 4,5-dimethoxybenzene-1,2-dicarbonitrile, CS-15518, CS-0040868, ACN-043664, CID10877879,

Complexity	255
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	188.059g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	188.186g/mol
Monoisotopic Mass	188.059g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	66A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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