AG003Q0Z

66787-70-0 | Ethyl 1-methyl-1H-imidazole-5-carboxylate

AG003Q0Z

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CAS Number	66787-70-0
Catalog Number	AG003Q0Z(AGN-PC-0224NP)
Chemical Name	Ethyl 1-methyl-1H-imidazole-5-carboxylate
IUPAC Name	ethyl 3-methylimidazole-4-carboxylate
InChI	InChI=1S/C7H10N2O2/c1-3-11-7(10)6-4-8-5-9(6)2/h4-5H,3H2,1-2H3
InChI Key	AIPYAGWNEMVIJQ-UHFFFAOYSA-N
MDL Number	MFCD06204805
Molecular Formula	C7H10N2O2
Molecular Weight	154.1665
SMILES	O=C(C1=CN=CN1C)OCC
Synonyms	66787-70-0, ETHYL 1-METHYLIMIDAZOLE-5-CARBOXYLATE, Ethyl 1-Methyl-1H-imidazole-5-carboxylate, Ethyl1-Methyl-1H-imidazole-5-carboxylate, 1H-Imidazole-5-carboxylic acid, 1-methyl-, ethyl ester, SCHEMBL1822972, CTK5C5204, DTXSID40596432, AIPYAGWNEMVIJQ-UHFFFAOYSA-N, KS-00000BD9, 0254AC, ANW-61049, Ethyl1-Methylimidazole-5-carboxylate, KM1036, MFCD06204805, ZINC42684228, ethyl 1-methyl-5-imidazolecarboxylate, AKOS006294732, AB23239, TRA0000755, AS-31616, CJ-20328, SC-27511, SY003890, AB1001785, AJ-104469, DB-013343, TC-149794, A8985, FT-0658788, MFCD06204805 (97+%), I14-7657, null, C7H10N2O2,

Complexity	149
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	154.074g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	154.169g/mol
Monoisotopic Mass	154.074g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	44.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

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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