AG00DBQ6

54221-93-1 | 2,6-Dimethylisonicotinic acid

AG00DBQ6

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CAS Number	54221-93-1
Catalog Number	AG00DBQ6(AGN-PC-0LCS9X)
Chemical Name	2,6-Dimethylisonicotinic acid
IUPAC Name	2,6-dimethylpyridine-4-carboxylic acid
InChI	InChI=1S/C8H9NO2/c1-5-3-7(8(10)11)4-6(2)9-5/h3-4H,1-2H3,(H,10,11)
InChI Key	JRJLLMLYUFAZOM-UHFFFAOYSA-N
MDL Number	MFCD03731176
Molecular Formula	C8H9NO2
Molecular Weight	151.1626
SMILES	CC1=CC(=CC(C)=N1)C(O)=O
Synonyms	2,6-Dimethylisonicotinic acid, 54221-93-1, 2,6-dimethylpyridine-4-carboxylic Acid, 2,6-dimethyl-4-pyridinecarboxylic acid, 2,6-Dimethyl-isonicotinic acid, 4-PYRIDINECARBOXYLIC ACID, 2,6-DIMETHYL-, MFCD03731176, PubChem14397, ACMC-209leb, AC1NCD45, Oprea1_776810, 2,6-dimethyl isonicotinic acid, SCHEMBL1179149, 4-Carboxy-2,6-dimethylpyridine, AMPD00261, CTK1G8984, DTXSID40403995, JRJLLMLYUFAZOM-UHFFFAOYSA-N, EBD27853, KS-00000MQ8, ZINC3881057, 2,6-DIMETHYLISONICOTINICACID, ANW-32001, STL227853, AKOS002665642, AB15854, CD-1526, MCULE-8557075837, PS-5417, RP01700, 4-Pyridinecarboxylicacid, 2,6-dimethyl-, AC-28209, AJ-46617, AK-29366, AM804021, AN-40645, QC-11133, SC-41966, 2,6-dimethylisonicotinic acid, AldrichCPR, AB0041623, DB-011945, TC-120746, 4CH-023931, CS-0007511, FT-0646310, ST24038869, ST45175003, Y9408, C-1506, 221D931, A830044, I02-0913, J-507523, F1371-0184, C8H9NO2, ACN-051565, CID4531896, 4-Pyridinecarboxylic acid, 2,6-dimethyl- (9CI), 2,6-dimethylpyridine-4-carboxylic acid, 95% - 1G 1g,

Complexity	148
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	151.063g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	151.165g/mol
Monoisotopic Mass	151.063g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	50.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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