AG004PQY

85692-37-1 | 1-(1-methyl-1H-imidazol-2-yl)ethan-1-one

AG004PQY

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CAS Number	85692-37-1
Catalog Number	AG004PQY(AGN-PC-0013KV)
Chemical Name	1-(1-methyl-1H-imidazol-2-yl)ethan-1-one
IUPAC Name	1-(1-methylimidazol-2-yl)ethanone
InChI	InChI=1S/C6H8N2O/c1-5(9)6-7-3-4-8(6)2/h3-4H,1-2H3
InChI Key	IZVOHCMELOUFRA-UHFFFAOYSA-N
MDL Number	MFCD08668178
Molecular Formula	C6H8N2O
Molecular Weight	124.1405
SMILES	CC(C1=NC=CN1C)=O
Synonyms	85692-37-1, 1-(1-METHYL-1H-IMIDAZOL-2-YL)ETHANONE, 1-(1-METHYL-1H-IMIDAZOL-2-YL)ETHAN-1-ONE, 2-ACETYL-1-METHYLIMIDAZOLE, 1-(1-methylimidazol-2-yl)ethanone, Ethanone, 1-(1-methyl-1H-imidazol-2-yl)-, SCHEMBL405925, CTK2I3998, 1-Methyl-2-acetyl-1H-imidazole, DTXSID60559089, IZVOHCMELOUFRA-UHFFFAOYSA-N, 1-(1-methyl-2-imidazolyl)ethanone, ALBB-011813, KS-000006HV, 3329AC, ANW-57716, CM-017, MFCD08668178, ZINC34275870, AKOS005173472, CS-W005322, MCULE-6256455572, PB12530, AJ-87759, AK-54843, AM101361, DS-14599, SC-51491, 1-(1-Methyl-1H-imidazol-2-yl);ethanone, AB0100339, DB-019167, TC-146461, BB 0258328, FT-0758659, ST24036979, EN300-77828, C-8674, 1-(1-METHYL-1H-IMIDAZOL-2-YL)-ETHANONE, A841413, Z277141058, 1- -ETHANONE, C6H8N2O, Ethanone, 1-(1-methyl-1H-imidazol-2-yl)- (9CI),

Complexity	124
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	124.064g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	124.143g/mol
Monoisotopic Mass	124.064g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	34.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0

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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