AG003025

30413-58-2 | Pyridine, 2-ethynyl-6-methyl-

AG003025

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CAS Number	30413-58-2
Catalog Number	AG003025(AGN-PC-00MEYM)
Chemical Name	Pyridine, 2-ethynyl-6-methyl-
IUPAC Name	2-ethynyl-6-methylpyridine
InChI	InChI=1S/C8H7N/c1-3-8-6-4-5-7(2)9-8/h1,4-6H,2H3
InChI Key	RUFOVPQUNXLVFW-UHFFFAOYSA-N
MDL Number	MFCD08703491
Molecular Formula	C8H7N
Molecular Weight	117.1479
SMILES	CC1=CC=CC(=N1)C#C
Synonyms	2-ethynyl-6-methylpyridine, 30413-58-2, 2-ETHYNYL-6-METHYL-PYRIDINE, Pyridine, 2-ethynyl-6-methyl-, 2-ethinyl-6-methylpyridine, SCHEMBL2714827, CTK4G5160, DTXSID30539550, RUFOVPQUNXLVFW-UHFFFAOYSA-N, KS-000004YX, 3183AB, ANW-68817, MFCD08703491, ZINC39642421, AKOS006240230, MCULE-4092019059, 2-Ethynyl-6-methylpyridine, AldrichCPR, AS-50585, AJ-100475, DB-068285, TX-011112, CS-0054138, FT-0703688, F-1005, Z1346370633, C8H7N,

Complexity	131
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	117.058g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	117.151g/mol
Monoisotopic Mass	117.058g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	12.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

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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