AG000DRA

1171124-65-4 | 1H-Imidazole-2-carboxylic acid, 5-ethyl-, ethyl ester

AG000DRA

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CAS Number	1171124-65-4
Catalog Number	AG000DRA(AGN-PC-0038P1)
Chemical Name	1H-Imidazole-2-carboxylic acid, 5-ethyl-, ethyl ester
IUPAC Name	ethyl 5-ethyl-1H-imidazole-2-carboxylate
InChI	InChI=1S/C8H12N2O2/c1-3-6-5-9-7(10-6)8(11)12-4-2/h5H,3-4H2,1-2H3,(H,9,10)
InChI Key	QFBQZDDWPFZPSS-UHFFFAOYSA-N
MDL Number	MFCD24386911
Molecular Formula	C8H12N2O2
Molecular Weight	168.1931
SMILES	O=C(C1=NC=C(CC)N1)OCC
Synonyms	Ethyl 5-ethyl-1H-imidazole-2-carboxylate, 1171124-65-4, AK123067, SCHEMBL2823105, SCHEMBL19358702, DTXSID60566632, QFBQZDDWPFZPSS-UHFFFAOYSA-N, KS-00000R5Y, MFCD24386911, ZINC91301331, AKOS016012283, CS-W022705, QC-4775, AS-44061, AJ-129605, AJ-129606, AX8247245, 1H-Imidazole-2-carboxylic acid, 5-ethyl-, ethyl ester, Ethyl5-ethyl-1H-imidazole-2-carboxylate, ethyl 4-ethyl-1H-imidazole-2-carboxylate,

Complexity	161
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.09g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	168.196g/mol
Monoisotopic Mass	168.09g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	55A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

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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