AG003023

30413-61-7 | Pyridine, 2-ethynyl-5-methyl-

AG003023

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CAS Number	30413-61-7
Catalog Number	AG003023(AGN-PC-00MEYL)
Chemical Name	Pyridine, 2-ethynyl-5-methyl-
IUPAC Name	2-ethynyl-5-methylpyridine
InChI	InChI=1S/C8H7N/c1-3-8-5-4-7(2)6-9-8/h1,4-6H,2H3
InChI Key	RENKQEMYPXHMKI-UHFFFAOYSA-N
MDL Number	MFCD13175240
Molecular Formula	C8H7N
Molecular Weight	117.1479
SMILES	CC1=CN=C(C#C)C=C1
Synonyms	2-ethynyl-5-methylpyridine, 30413-61-7, Pyridine, 2-ethynyl-5-methyl-, 2-ETHYNYL-5-METHYL-PYRIDINE, 6-Ethynyl-3-picoline, 5-methylpyridin-2-yl-acetylene, SCHEMBL2721164, KS-00002AER, (5-Methylpyridin-2-yl)acetylene, DTXSID20539549, RENKQEMYPXHMKI-UHFFFAOYSA-N, MFCD13175240, ZINC39642419, AKOS022185660, PS-5389, 2-Ethynyl-5-methylpyridine, AldrichCPR, DA-07120, AJ-100474, FT-0726314, F-1006, A1-02597, 2-ethynyl-5-methylpyridine, 95% - 1G 1g,

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 statements	H315-H319-H335
Precautionary statements	P261-P305+P351+P338

Certificate of Analysis

Lot Number