AG003LIB

31872-57-8 | 4-Hydroxy-3-nitropyridine N-oxide

AG003LIB

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CAS Number	31872-57-8
Catalog Number	AG003LIB(AGN-PC-0R75XU)
Chemical Name	4-Hydroxy-3-nitropyridine N-oxide
IUPAC Name	1-hydroxy-3-nitropyridin-4-one
InChI	InChI=1S/C5H4N2O4/c8-5-1-2-6(9)3-4(5)7(10)11/h1-3,9H
InChI Key	QDIJYPHBWUDRIA-UHFFFAOYSA-N
MDL Number	MFCD00234062
Molecular Formula	C5H2N2O4
Molecular Weight	154.0804
NSC Number	41627
SMILES	O=[N+](C1=C(O)C2=CN=C1O2)[O-]
Synonyms	4-Hydroxy-3-nitropyridine N-oxide, 31872-57-8, 3-nitropyridin-4-ol 1-oxide, 4-hydroxy-3-nitropyridine 1-oxide, 4-hydroxy-3-nitropyridin-1-ium-1-olate, 3-NITRO-4-HYDROXYPYRIDINE-N-OXIDE, 3-nitropyridine-1,4-diol, AC-907/25004395, 1-hydroxy-3-nitropyridin-4-one, NSC41627, 1-hydroxy-3-nitropyridin-4(1h)-one, AC1L5ZJK, AC1Q5AAH, ACMC-1AIY1, 3-Nitro-4-pyridinol 1-oxide, SCHEMBL7032839, CTK4G7859, CTK5I4476, DTXSID90285384, 4-Pyridinol, 3-nitro-,1-oxide, ZERO/006159, ZINC1673494, ZX-AT005322, FCH919528, MFCD00234062, NSC-41627, OR2037, SBB013898, STK687211, AKOS005255081, VP14569, ACM31872578, NCGC00340130-01, PS-10610, ST091541, TC-168795, AB00374364-03, AR-1C4023, CID237782, H177, 36915-65-8,

Complexity	262
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	156.017g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	156.097g/mol
Monoisotopic Mass	156.017g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	86.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H301-H315-H319-H335
Packing Group
Precautionary statements	P261-P280a-P301+P310a-P305+P351+P338-P405-P501a
UN Code	\N

Certificate of Analysis

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