AG003EIM

19485-38-2 | 1-Methyl-1H-imidazole-4,5-dicarboxylic acid

AG003EIM

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CAS Number	19485-38-2
Catalog Number	AG003EIM(AGN-PC-0JPISG)
Chemical Name	1-Methyl-1H-imidazole-4,5-dicarboxylic acid
IUPAC Name	1-methylimidazole-4,5-dicarboxylic acid
InChI	InChI=1S/C6H6N2O4/c1-8-2-7-3(5(9)10)4(8)6(11)12/h2H,1H3,(H,9,10)(H,11,12)
InChI Key	YARDQACXPOQDMO-UHFFFAOYSA-N
MDL Number	MFCD01552045
Molecular Formula	C6H6N2O4
Molecular Weight	170.1228
SMILES	CN1C=NC(C(O)=O)=C1C(O)=O
Synonyms	1-methylimidazole-4,5-dicarboxylic acid, MI-dicarboxylic acid, 19485-38-2, 1-methyl-1H-imidazole-4,5-dicarboxylic acid, 1-Methylimidazole-4,5-dicarboxylic acid, 4,5-DICARBOXY-1-METHYL-1H-IMIDAZOLE, 1H-Imidazole-4,5-dicarboxylic acid, 1-methyl-, 1-methyl-4,5-imidazole-dicarboxylicacid, 1-methyl-4,5-imidazoledicarboxylic acid, 1H-Imidazole-4,5-dicarboxylicacid, 1-methyl-, MI-dicarboxylic acid, 1-methyl uracil, PubChem9000, ACMC-209eyo, 1-Methyl-1H-imidazole-4,5-dicarboxylicacid, SCHEMBL67836, AMOT0334, 4,5-dicarboxy-N-methylimidazole, CTK0I0380, KS-00000CEX, DTXSID50173137, YARDQACXPOQDMO-UHFFFAOYSA-N, AC1L4808, ZERO/004653, ZINC4339237, ZX-AT001612, ANW-23662, CCG-48055, FCH918880, MFCD01552045, SBB012846, STK785550, AKOS005621297, 1-Methylimidazole-4,5-dicarboxylicAcid, AB09214, AC-3110, AM85649, AS-5267, CM-1159, CS-W010783, MCULE-9456505792, OR10441, RP23208, TRA0047461, VI10131, ACM19485382, AJ-50638, AK-57020, AN-13283, CC-17270, SC-02120, SY003848, AB0002976, AB1001760, AX8003531, DB-011866, ST4130184, TC-064328, A4282, FT-0637860, M2156, X6404, 1H-Imidazole-4,5-dicarboxylicacid,1-methyl-, MFCD01552045 (97+%), C-05215, I11-0292, J-504948, SR-01000637628-1, F2199-0588, null, C6H6N2O4, C6-H6-N2-O4, CID152258, 1-methyl-45-imidazole-dicarboxylic acid, C-1336, 4,5-Dicarboxy-1-methyl-1H-imidazole, 98% - 1G 1g, 615-77-0, 850411-08-4,

Complexity	218
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	170.033g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	170.124g/mol
Monoisotopic Mass	170.033g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	92.4A^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-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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