AG00724L

4664-13-5 | 4-Hydroxy-3,6-dimethyl-2(1h)-pyridinone

AG00724L

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CAS Number	4664-13-5
Catalog Number	AG00724L(AGN-PC-0ABU4I)
Chemical Name	4-Hydroxy-3,6-dimethyl-2(1h)-pyridinone
IUPAC Name	4-hydroxy-3,6-dimethyl-1H-pyridin-2-one
InChI	InChI=1S/C7H9NO2/c1-4-3-6(9)5(2)7(10)8-4/h3H,1-2H3,(H2,8,9,10)
InChI Key	XMUOZGAKXBMOGL-UHFFFAOYSA-N
MDL Number	MFCD11113422
Molecular Formula	C7H9NO2
Molecular Weight	139.1519
SMILES	Cc1c(O)cc([nH]c1=O)C
Synonyms	4664-13-5, 4-Hydroxy-3,6-dimethylpyridin-2(1H)-one, 3,6-Dimethyl-pyridine-2,4-diol, 4-hydroxy-3,6-dimethyl-2(1H)-Pyridinone, 3,6-Dimethylpyridine-2,4-diol, AK185646, 4-hydroxy-3,6-dimethyl-1,2-dihydropyridin-2-one, SCHEMBL2536467, SCHEMBL11976387, CTK4I9502, CTK8E4312, DTXSID90716269, XMUOZGAKXBMOGL-UHFFFAOYSA-N, 2,4-dihydroxy-3,6-dimethylpyridine, FCH889463, MFCD11113422, ZINC44126887, 2,4-dihydroxy-3,6-dimethyl-pyridine, AKOS006307459, AKOS025394695, 3,6-DIMETHYL-2,4-PYRIDINEDIOL, DS-10061, DB-070747, TX-012382, FT-0720259, J3.656.702C, 4-HYDROXY-3,6-DIMETHYL-1H-PYRIDIN-2-ONE, 3,6-Dimethyl-4-hydroxy-1,2-dihydropyridine-2-one, 2(1H)-PYRIDINONE, 4-HYDROXY-3,6-DIMETHYL-, F2167-8494,

Complexity	238
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	139.063g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	139.154g/mol
Monoisotopic Mass	139.063g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	49.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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