AG00G1KX

677762-39-9 | 3-Pyridinecarboxylicacid,1,6-dihydro-1,5-dimethyl-6-oxo-(9CI)

AG00G1KX

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CAS Number	677762-39-9
Catalog Number	AG00G1KX(AGN-PC-03H6QU)
Chemical Name	3-Pyridinecarboxylicacid,1,6-dihydro-1,5-dimethyl-6-oxo-(9CI)
IUPAC Name	1,5-dimethyl-6-oxopyridine-3-carboxylic acid
InChI	InChI=1S/C8H9NO3/c1-5-3-6(8(11)12)4-9(2)7(5)10/h3-4H,1-2H3,(H,11,12)
InChI Key	MXHCSFDXIHKKOY-UHFFFAOYSA-N
MDL Number	MFCD18819048
Molecular Formula	C8H9NO3
Molecular Weight	167.1620
SMILES	CC1C(=O)N(C)C=C(C(O)=O)C=1
Synonyms	677762-39-9, 1,5-Dimethyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid, AK-78283, SCHEMBL480606, KS-00000PGZ, MXHCSFDXIHKKOY-UHFFFAOYSA-N, MFCD18819048, ZINC39082497, AKOS022183260, FCH1001948, AJ-98060, 1,5-DIMETHYL-6-OXOPYRIDINE-3-CARBOXYLIC ACID, 1,5-dimethyl-6-oxo-1,6-dihydro-pyridine-3-carboxylic acid, 3-Pyridinecarboxylicacid,1,6-dihydro-1,5-dimethyl-6-oxo-(9CI), 3-Pyridinecarboxylic acid, 1,6-dihydro-1,5-dimethyl-6-oxo- (9CI),

Complexity	301
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	167.058g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	167.164g/mol
Monoisotopic Mass	167.058g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	57.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0

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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