AG00ECJP

6311-73-5 | methyl 5-nitro-2,6-dioxo-3H-pyrimidine-4-carboxylate

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CAS Number	6311-73-5
Catalog Number	AG00ECJP(AGN-PC-0T78PO)
Chemical Name	methyl 5-nitro-2,6-dioxo-3H-pyrimidine-4-carboxylate
IUPAC Name	methyl 5-nitro-2,4-dioxo-1H-pyrimidine-6-carboxylate
InChI	InChI=1S/C6H5N3O6/c1-15-5(11)2-3(9(13)14)4(10)8-6(12)7-2/h1H3,(H2,7,8,10,12)
InChI Key	KPNLMRWITBJHTK-UHFFFAOYSA-N
MDL Number	MFCD01346736
Molecular Formula	C6H5N3O6
Molecular Weight	215.1204
SMILES	COC(=O)C1=C(C(=O)NC(=O)N1)[N+]([O-])=O
Synonyms	6311-73-5, methyl 5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate, Methyl 5-Nitrouracil-6-carboxylate, methyl 5-nitro-2,4-dioxo-1H-pyrimidine-6-carboxylate, METHYL 5-NITRO-2,6-DIOXO-3H-PYRIMIDINE-4-CARBOXYLATE, NSC43250, methyl 5-nitroorotate, AC1Q5YKP, AC1L61MZ, SCHEMBL110063, CTK5B7624, DTXSID90285925, KPNLMRWITBJHTK-UHFFFAOYSA-N, Methyl5-Nitrouracil-6-carboxylate, QC-88, KS-00000BX4, ZINC1675970, ANW-56948, MFCD01346736, NSC-43250, NSC134523, AKOS005263764, GS-5679, MCULE-9170863741, NSC-134523, AJ-29424, SY038061, AB0094706, AX8227484, CS-0045846, FT-0686194, MFCD01346736 (95%), methyl 2,6-dihydroxy-5-nitropyrimidine-4-carboxylate, methyl 5-nitro-2,6-dioxo-1,3-dihydropyrimidine-4-carboxylate, methyl 5-nitro-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylate, 4-Pyrimidinecarboxylicacid, 1,2,3,6-tetrahydro-5-nitro-2,6-dioxo-, methyl ester, 5-Nitroorotic acid methyl ester;methyl 5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate, AR-1J5579, CID238725, ethyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate, Methyl 5-nitro-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidine-4-carboxylate, 6975-46-8,

Complexity	392
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	215.018g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	215.121g/mol
Monoisotopic Mass	215.018g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	130A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

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