AG003024

30413-59-3 | Pyridine, 2-ethynyl-3-methyl-

AG003024

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CAS Number	30413-59-3
Catalog Number	AG003024(AGN-PC-00MEYJ)
Chemical Name	Pyridine, 2-ethynyl-3-methyl-
IUPAC Name	2-ethynyl-3-methylpyridine
InChI	InChI=1S/C8H7N/c1-3-8-7(2)5-4-6-9-8/h1,4-6H,2H3
InChI Key	RHZFYNCENJWVQW-UHFFFAOYSA-N
MDL Number	MFCD13175242
Molecular Formula	C8H7N
Molecular Weight	117.1479
SMILES	CC1=CC=CN=C1C#C
Synonyms	2-ethynyl-3-methylpyridine, 30413-59-3, Pyridine, 2-ethynyl-3-methyl-, 2-ETHYNYL-3-METHYL-PYRIDINE, 2-Ethynyl-3-picoline, SCHEMBL1173370, CTK1B3344, KS-00002AEO, (3-Methylpyridin-2-yl)acetylene, DTXSID00539547, ZX-AT003685, MFCD13175242, ZINC37593986, AKOS026675512, FCH1167587, OR53007, PS-5386, F-1007, 2-ethynyl-3-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	H301
Precuationary statements	P210-P273-P243-P403
Siginal words

Certificate of Analysis

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