AG003KJK

2164-83-2 | 4,6-Dihydroxy-5-nitropyrimdine

AG003KJK

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CAS Number	2164-83-2
Catalog Number	AG003KJK(AGN-PC-0O7W2N)
Chemical Name	4,6-Dihydroxy-5-nitropyrimdine
EC Number	218-504-6
IUPAC Name	4-hydroxy-5-nitro-1H-pyrimidin-6-one
InChI	InChI=1S/C4H3N3O4/c8-3-2(7(10)11)4(9)6-1-5-3/h1H,(H2,5,6,8,9)
InChI Key	ABTLZAVJDRUDNG-UHFFFAOYSA-N
MDL Number	MFCD00006110
Molecular Formula	C4H3N3O4
Molecular Weight	157.0843
NSC Number	36909
SMILES	O=[N+](C1=C(O)N=CN=C1O)[O-]
Synonyms	4,6-Dihydroxy-5-nitropyrimidine, 2164-83-2, 5-Nitropyrimidine-4,6-diol, 4,6-Dihydroxy-5-nitropyrimdine, 5-Nitro-4,6-pyrimidinediol, 4(1H)-Pyrimidinone, 6-hydroxy-5-nitro-, 4-hydroxy-5-nitro-1H-pyrimidin-6-one, 6-Hydroxy-5-nitro-4(1H)-pyrimidinone, 5-Nitro-4,6-dihydroxypyrimidine, ABTLZAVJDRUDNG-UHFFFAOYSA-N, MFCD00006110, 6-Hydroxy-5-nitro-3H-pyrimidin-4-one, 4,6-Dihydroxy-5-nitropyrimidine, 95%, 4(3H)-Pyrimidinone, 6-hydroxy-5-nitro-, 6-hydroxy-5-nitro-3,4-dihydropyrimidin-4-one, 4,6-Dihydroxy-5-nitroprimidine, NSC36909, PubChem7101, 4, 5-nitro-, ACMC-209fn2, AC1L2O1U, AC1Q5A9K, KSC495O6J, SCHEMBL2033648, Jsp004400, 4,6-Pyrimidinediol, 5-nitro-, 5-Nitro-4,6-pyrimidinediol #, DTXSID4062228, ABTLZAVJDRUDNG-UHFFFAOYSA-, CTK3J5764, KS-00000JLF, 4, 6-Dihydroxy-5-nitropyrimidine, 5-nitro-1H-perimidine-4,6-diol, ZINC8615382, EINECS 218-504-6, ANW-24540, CCG-49870, NSC 36909, NSC-36909, SBB004009, STK984504, Pyrimidine, 4,6-dihydroxy-5-nitro-, AKOS000121443, AKOS000280456, AC-2972, GS-6771, TRA0084853, VP50177, 4,6-DIHYDROXY-5-NITRO PYRIMIDINE, AJ-57752, AK-34119, AN-13427, HC210037, SC-02485, SY003455, AB0008396, AB1001631, AJ-135330, DB-013025, RT-002687, A4652, D1960, FT-0617254, ST24023072, ST45021390, 4,6-Pyrimidinediol, 5-nitro-, (keto form), Z-3371, MFCD00006110 (97+%), I03-0275, SR-01000639295-1, W-107534, InChI=1/C4H3N3O4/c8-3-2(7(10)11)4(9)6-1-5-3/h1H,(H2,5,6,8,9), 3-Acetylindole, C4H3N3O4, CID75105, AR-1G9160, ACN-026981, 4,6-Dihydroxy-5-nitropyrimidine, 98% - 25G 25g, 2576-92-3,

Complexity	274
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	157.012g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	157.085g/mol
Monoisotopic Mass	157.012g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	108A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.3

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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