AG0080CI

13603-45-7 | 2,6-Dimethyl-3-nitropyridin-4-ol

AG0080CI

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CAS Number	13603-45-7
Catalog Number	AG0080CI(AGN-PC-0O19A1)
Chemical Name	2,6-Dimethyl-3-nitropyridin-4-ol
IUPAC Name	2,6-dimethyl-3-nitro-1H-pyridin-4-one
InChI	InChI=1S/C7H8N2O3/c1-4-3-6(10)7(9(11)12)5(2)8-4/h3H,1-2H3,(H,8,10)
InChI Key	PKAUZTQOCSCVLK-UHFFFAOYSA-N
MDL Number	MFCD18253578
Molecular Formula	C7H8N2O3
Molecular Weight	168.1500
SMILES	OC1=C([N+]([O-])=O)C(C)=NC(C)=C1
Synonyms	13603-45-7, 2,6-Dimethyl-3-nitropyridin-4-ol, 2,6-Dimethyl-3-nitro-4-pyridinol, 2,6-Dimethyl-4-hydroxy-3-nitropyridine, 2,6-Dimethyl-3-nitropyridin-4(1H)-one, PKAUZTQOCSCVLK-UHFFFAOYSA-N, 122957-45-3, 2,6-dimethyl-3-nitro-1H-pyridin-4-one, 4-HYDROXY-3-NITRO-2,6-DIMETHYLPYRIDINE, 2,6-Dimethyl-3-nitro-4(1H)-pyridone, AC1LC76K, ACMC-209c53, SCHEMBL9726864, CTK4C0126, DTXSID40338455, ANW-20005, MFCD18253578, ZINC32214405, 4-Pyridinol 2,6-dimethyl-3-nitro-, 4-Pyridinol,2,6-dimethyl-3-nitro-, AKOS006330882, AKOS015999293, 2,6-Dimethyl-3-nitro-4-pyridinol #, FCH1411245, AJ-85024, AK-92163, CJ-17929, AX8230331, TC-108750, CS-0061283, ST24021586, V2522, A-2722, 2,6-dimethyl-3-nitro-1,4-dihydropyridin-4-one, C7H8N2O3, CID549205,

Complexity	309
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.053g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	168.152g/mol
Monoisotopic Mass	168.053g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	74.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

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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