AG005BR9

80304-42-3 | 1,5-Dimethyl-1H-imidazole-4-carboxylic acid

AG005BR9

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CAS Number	80304-42-3
Catalog Number	AG005BR9(AGN-PC-01XDH2)
Chemical Name	1,5-Dimethyl-1H-imidazole-4-carboxylic acid
IUPAC Name	1,5-dimethylimidazole-4-carboxylic acid
InChI	InChI=1S/C6H8N2O2/c1-4-5(6(9)10)7-3-8(4)2/h3H,1-2H3,(H,9,10)
InChI Key	MJWMSFLDPWTOSC-UHFFFAOYSA-N
MDL Number	MFCD18910969
Molecular Formula	C6H8N2O2
Molecular Weight	140.1399
SMILES	O=C(C1=C(C)N(C)C=N1)O
Synonyms	1,5-DIMETHYL-1H-IMIDAZOLE-4-CARBOXYLIC ACID, 80304-42-3, 1H-Imidazole-4-carboxylic acid, 1,5-dimethyl-, 1,5-dimethylimidazole-4-carboxylic acid, AK-43748, SCHEMBL5726080, CTK8B8323, DTXSID50594404, MJWMSFLDPWTOSC-UHFFFAOYSA-N, KS-00000OL1, 2517AC, ANW-60147, FCH966539, MFCD18910969, ZINC66354495, AKOS006376366, DS-14244, SC-52273, AJ-116753, AX8211340, TC-148892, ST24036876, S14-2358, C6H8N2O2,

Complexity	149
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	140.059g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	140.142g/mol
Monoisotopic Mass	140.059g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	55.1A^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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