AG00H4ZS

916792-95-5 | 1-methyl-1H-Imidazole-4-acetic acid ethyl ester

AG00H4ZS

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CAS Number	916792-95-5
Catalog Number	AG00H4ZS(AGN-PC-0WD6Z9)
Chemical Name	1-methyl-1H-Imidazole-4-acetic acid ethyl ester
IUPAC Name	ethyl 2-(1-methylimidazol-4-yl)acetate
InChI	InChI=1S/C8H12N2O2/c1-3-12-8(11)4-7-5-10(2)6-9-7/h5-6H,3-4H2,1-2H3
InChI Key	ZWILSHXSICOQDH-UHFFFAOYSA-N
MDL Number	MFCD20486066
Molecular Formula	C8H12N2O2
Molecular Weight	168.1931
SMILES	O=C(OCC)CC1=CN(C)C=N1
Synonyms	Ethyl 2-(1-methyl-1H-imidazol-4-yl)acetate, 916792-95-5, 1-methyl-1H-Imidazole-4-acetic acid ethyl ester, SCHEMBL14551489, MFCD20486066, ZINC14516316, AK318610, AS-50284, AX8272690, DB-079146, FT-0702534,

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	0
Isotope Atom Count	0
Molecular Weight	168.196g/mol
Monoisotopic Mass	168.09g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	44.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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