AG007V8D

1080-79-1 | Diethyl 4,5-imidazole-1H-4,5-dicarboxylate

AG007V8D

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CAS Number	1080-79-1
Catalog Number	AG007V8D(AGN-PC-0JQ97J)
Chemical Name	Diethyl 4,5-imidazole-1H-4,5-dicarboxylate
IUPAC Name	diethyl 1H-imidazole-4,5-dicarboxylate
InChI	InChI=1S/C9H12N2O4/c1-3-14-8(12)6-7(11-5-10-6)9(13)15-4-2/h5H,3-4H2,1-2H3,(H,10,11)
InChI Key	NQKKUSLBNWTXQI-UHFFFAOYSA-N
MDL Number	MFCD00723829
Molecular Formula	C9H12N2O4
Molecular Weight	212.2026
NSC Number	514471
SMILES	CCOC(=O)C1=C(N=CN1)C(=O)OCC
Synonyms	Diethyl 1H-imidazole-4,5-dicarboxylate, 1080-79-1, Diethyl 4,5-imidazole-1H-4,5-dicarboxylate, NQKKUSLBNWTXQI-UHFFFAOYSA-N, Diethyl imidazole-4,5-dicarboxylate, AK-89752, 4,5-diethyl 1H-imidazole-4,5-dicarboxylate, 1H-Imidazole-4,5-dicarboxylic acid, diethyl ester, NSC514471, AC1L6WQ8, IFLab1_000276, SCHEMBL1417913, CTK8B3302, DTXSID50325639, HMS1412M12, ZINC244081, KS-00000L1C, ZX-AT009877, ANW-42235, MFCD00723829, OR5618, AKOS001586933, Diethyl1H-imidazole-4,5-dicarboxylate, AB06991, AM90174, CCG-103763, CD-1052, iethyl 1H-imidazole-4,5-dicarboxylate, MCULE-8251552522, NSC-514471, IDI1_008495, AJ-18298, AN-48476, AS-17573, SC-82848, ZB009751, Diethyl 1H-imidazole-4,5-dicarboxylate #, AX8041156, DB-040809, Diethyl4,5-imidazole-1H-4,5-dicarboxylate, TR-001903, C3322, CS-0037225, FT-0633315, Imidazol-4,5-dicarboxylic acid diethyl ester, V0760, imidazole 4,5-dicarboxylic acid diethyl ester, A-4888, 080D791, 1H-Imidazole-4,5-dicarboxylic acid diethyl ester, C-41650, Imidazole-4,5-di-carboxylic acid, diethyl(ester), SR-01000397106, J-002054, SR-01000397106-1, 1H-Imidazole-4,5-dicarboxylic acid, 4,5-diethyl ester, C9H12N2O4, CID350670, ACN-051509,

Complexity	244
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	212.08g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	212.205g/mol
Monoisotopic Mass	212.08g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	81.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

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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