AG0054NP

823198-78-3 | Pyridine, 2-[(3-methoxyphenyl)ethynyl]-6-methyl-, hydrochloride

AG0054NP

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CAS Number	823198-78-3
Catalog Number	AG0054NP(AGN-PC-0H6MD4)
Chemical Name	Pyridine, 2-[(3-methoxyphenyl)ethynyl]-6-methyl-, hydrochloride
IUPAC Name	2-[2-(3-methoxyphenyl)ethynyl]-6-methylpyridine;hydrochloride
InChI	InChI=1S/C15H13NO.ClH/c1-12-5-3-7-14(16-12)10-9-13-6-4-8-15(11-13)17-2;/h3-8,11H,1-2H3;1H
InChI Key	BWGVEMBFNIKUJU-UHFFFAOYSA-N
MDL Number	MFCD19440696
Molecular Formula	C15H14ClNO
Molecular Weight	259.7308
SMILES	COc1cccc(c1)C#Cc1cccc(n1)C.Cl
Synonyms	823198-78-3, MMPEP, 2-Methyl-6-[(3-methoxyphenyl)ethynyl]pyridine Hydrochloride, Pyridine, 2-[(3-methoxyphenyl)ethynyl]-6-methyl-, hydrochloride, M-MPEP Hydrochloride, SCHEMBL927888, CTK3E0919, DTXSID00735885, AKOS030239686, RT-013924, AK00792891, FT-0672091, 2-[(3-Methoxyphenyl)ethynyl]-6-methylpyridine Hydrochloride, 2-[(3-Methoxyphenyl)ethynyl]-6-methylpyridine--hydrogen chloride (1/1), MPEP HCl,

Complexity	301
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	259.076g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	259.733g/mol
Monoisotopic Mass	259.076g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	22.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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