AG00FH07

716362-04-8 | 3-Acetyl-2-pyridinecarboxylic acid

AG00FH07

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CAS Number	716362-04-8
Catalog Number	AG00FH07(AGN-PC-03X6YL)
Chemical Name	3-Acetyl-2-pyridinecarboxylic acid
IUPAC Name	3-acetylpyridine-2-carboxylic acid
InChI	InChI=1S/C8H7NO3/c1-5(10)6-3-2-4-9-7(6)8(11)12/h2-4H,1H3,(H,11,12)
InChI Key	ZHIOUPNVQJCRBN-UHFFFAOYSA-N
MDL Number	MFCD16140257
Molecular Formula	C8H7NO3
Molecular Weight	165.1461
SMILES	CC(=O)C1=CC=CN=C1C(O)=O
Synonyms	3-acetyl-2-pyridinecarboxylic acid, 716362-04-8, 3-Acetylpicolinic acid, 3-acetylpyridine-2-carboxylic acid, acetylpyridinecarboxylicacid, SCHEMBL3006650, CTK2H6479, DTXSID90629527, ZHIOUPNVQJCRBN-UHFFFAOYSA-N, KS-000022WN, ZX-RL003074, 1120AC, 2-Pyridinecarboxylicacid, 3-acetyl-, ANW-55423, FCH925164, MFCD16140257, ZINC43827729, AKOS005071832, BE-0707, MCULE-8161361642, RP10333, OR303851, AJ-108877, AX8206401, TR-070949, FT-0730197, J-511505, C8H7NO3, 2-Pyridinecarboxylicacid,3-acetyl-, 2-Pyridinecarboxylic acid, 3-acetyl- (9CI),

Complexity	203
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	165.043g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	165.148g/mol
Monoisotopic Mass	165.043g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	67.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number