AG000OEN

1256810-92-0 | 4-Pyridinecarboxylic acid, 2-ethynyl-, methyl ester

AG000OEN

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CAS Number	1256810-92-0
Catalog Number	AG000OEN(AGN-PC-0WAH2T)
Chemical Name	4-Pyridinecarboxylic acid, 2-ethynyl-, methyl ester
IUPAC Name	methyl 2-ethynylpyridine-4-carboxylate
InChI	InChI=1S/C9H7NO2/c1-3-8-6-7(4-5-10-8)9(11)12-2/h1,4-6H,2H3
InChI Key	DHTZKPJQSJWDRT-UHFFFAOYSA-N
MDL Number	MFCD18256144
Molecular Formula	C9H7NO2
Molecular Weight	161.1574
SMILES	O=C(OC)C1=CC=NC(C#C)=C1
Synonyms	Methyl 2-ethynylisonicotinate, 1256810-92-0, methyl 2-ethynylpyridine-4-carboxylate, AK151768, SCHEMBL12478026, KS-00000SBB, DHTZKPJQSJWDRT-UHFFFAOYSA-N, ZINC98179910, AKOS024259466, DS-9635, FCH1181022, AX8288326, CS-0043881, F-5192, 4-Pyridinecarboxylic acid, 2-ethynyl-, methyl ester, AJ-141017,

Complexity	216
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	161.047678g/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	161.047678g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	39.2Ų
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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