AG0026BU

17880-61-4 | 2-Pyridinecarboxylic acid, 5-ethynyl-, methyl ester

AG0026BU

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CAS Number	17880-61-4
Catalog Number	AG0026BU(AGN-PC-0JT1AE)
Chemical Name	2-Pyridinecarboxylic acid, 5-ethynyl-, methyl ester
IUPAC Name	methyl 5-ethynylpyridine-2-carboxylate
InChI	InChI=1S/C9H7NO2/c1-3-7-4-5-8(10-6-7)9(11)12-2/h1,4-6H,2H3
InChI Key	PGYCVRHIHIYNBF-UHFFFAOYSA-N
MDL Number	MFCD13189756
Molecular Formula	C9H7NO2
Molecular Weight	161.1574
SMILES	O=C(OC)C1=NC=C(C#C)C=C1
Synonyms	Methyl 5-ethynylpicolinate, methyl 5-ethynylpyridine-2-carboxylate, 17880-61-4, 5-Ethynyl-2-methoxycarbonylpyridine, PGYCVRHIHIYNBF-UHFFFAOYSA-N, AC1LC2TQ, SCHEMBL159424, CTK6J0188, KS-00002AEH, DTXSID50340923, 5-Ethinyl-2-methoxycarbonylpyridine, MFCD13189756, ZINC72265971, 5-Ethynyl-2-(methoxycarbonyl)pyridine, AKOS024259462, AB69053, PS-5370, AK151764, Methyl 5-ethynyl-2-pyridinecarboxylate #, AB0071015, AJ-120861, FT-0712775, F-5186, 5-Ethynylpyridine-2-carboxylic acid methyl ester, 2-PYRIDINECARBOXYLIC ACID, 5-ETHYNYL-, METHYL ESTER, CID568567, methyl 5-ethynylpyridine-2-carboxylate, 95% - 1G 1g,

Complexity	216
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	161.048g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	161.16g/mol
Monoisotopic Mass	161.048g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	39.2A^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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