AG003A6V

113124-09-7 | 5,6-Dimethylnicotinonitrile

AG003A6V

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CAS Number	113124-09-7
Catalog Number	AG003A6V(AGN-PC-03DP8S)
Chemical Name	5,6-Dimethylnicotinonitrile
IUPAC Name	5,6-dimethylpyridine-3-carbonitrile
InChI	InChI=1S/C8H8N2/c1-6-3-8(4-9)5-10-7(6)2/h3,5H,1-2H3
InChI Key	WKGURDJVSXADDE-UHFFFAOYSA-N
MDL Number	MFCD11101052
Molecular Formula	C8H8N2
Molecular Weight	132.1625
SMILES	CC=1C(=NC=C(C#N)C1)C
Synonyms	5,6-dimethylnicotinonitrile, 113124-09-7, 5,6-Dimethylpyridine-3-carbonitrile, 5,6-DIMETHYL-3-PYRIDINCARBONITRILE, 5,6-Dimethyl-nicotinonitrile, 5,6-dimethyl-3-pyridinecarbonitrile, SCHEMBL846133, WKGURDJVSXADDE-UHFFFAOYSA-, DTXSID80616244, 3057AJ, MFCD11101052, ZINC39051861, 5,6-dimethyl-pyridine-3-carbonitrile, AKOS006308416, 3-Pyridinecarbonitrile, 5,6-dimethyl-, DS-8304, AJ-97560, AK145641, AM806474, SY106230, MFCD11101052 (95%), W-4387, InChI=1/C8H8N2/c1-6-3-8(4-9)5-10-7(6)2/h3,5H,1-2H3, C8H8N2,

Complexity	156
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	132.069g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	132.166g/mol
Monoisotopic Mass	132.069g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	36.7A^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
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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