AG0026BV

17880-57-8 | 2-Pyridinecarboxylic acid, 5-ethynyl-

AG0026BV

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CAS Number	17880-57-8
Catalog Number	AG0026BV(AGN-PC-0JT1AS)
Chemical Name	2-Pyridinecarboxylic acid, 5-ethynyl-
IUPAC Name	5-ethynylpyridine-2-carboxylic acid
InChI	InChI=1S/C8H5NO2/c1-2-6-3-4-7(8(10)11)9-5-6/h1,3-5H,(H,10,11)
InChI Key	ZCSPZVBBZKXFHF-UHFFFAOYSA-N
MDL Number	MFCD11520015
Molecular Formula	C8H5NO2
Molecular Weight	147.1308
SMILES	O=C(O)C1=NC=C(C#C)C=C1
Synonyms	5-ethynylpicolinic acid, 17880-57-8, 5-ethynylpyridine-2-carboxylic acid, ZCSPZVBBZKXFHF-UHFFFAOYSA-N, 5-Ethynyl-2-pyridinecarboxylic acid, AC1LC2UW, AC1Q743S, SCHEMBL7609813, CTK0H2167, DTXSID10340924, 5-Ethinyl-2-pyridinecarboxylic acid, MFCD11520015, ZINC35570292, 2-Pyridinecarboxylicacid, 5-ethynyl-, AKOS006240828, 2-Pyridinecarboxylic acid, 5-ethynyl-, MCULE-2007268721, AK341449, AS-36637, DA-43497, FT-0762557, EN300-69369, Z1270246405, Picolinic acid, 5-ethynyl- (8CI), CID568581,

Complexity	203
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	147.032g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	147.133g/mol
Monoisotopic Mass	147.032g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	50.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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