AG00D95Y

53981-69-4 | 1-(1H-Imidazol-2-yl)ethanone

AG00D95Y

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CAS Number	53981-69-4
Catalog Number	AG00D95Y(AGN-PC-0JSK7E)
Chemical Name	1-(1H-Imidazol-2-yl)ethanone
IUPAC Name	1-(1H-imidazol-2-yl)ethanone
InChI	InChI=1S/C5H6N2O/c1-4(8)5-6-2-3-7-5/h2-3H,1H3,(H,6,7)
InChI Key	OSMJIXXVEWORDJ-UHFFFAOYSA-N
MDL Number	MFCD09878742
Molecular Formula	C5H6N2O
Molecular Weight	110.1139
SMILES	CC(C1=NC=CN1)=O
Synonyms	1-(1h-imidazol-2-yl)ethanone, 2-acetylimidazole, 53981-69-4, 1-(1H-Imidazol-2-yl)-ethanone, 1-(1H-IMIDAZOL-2-YL)-ETHANONE HCL, OSMJIXXVEWORDJ-UHFFFAOYSA-N, Ethanone, 1-(1H-imidazol-2-yl)-, acetyl imidazole, AC1LBNJD, 2-Acetyl-1H-imidazole, AC1Q5G0K, SCHEMBL98748, CTK4J9198, DTXSID70337133, ALBB-021708, Ethanone,1-(1H-imidazol-2-yl)-, 1-(1H-imidazol-2-yl)-1-ethanone, 1-(1H-imidazol-2-yl)ethan-1-one, 5223AE, MFCD09878742, ZINC16696747, AKOS006310469, CA-1893, CS-W004255, MCULE-8301653421, AJ-69159, AS-35509, SC-24067, 1-(1H-Imidazol-2-yl)ethanone, AldrichCPR, AB0073321, DB-031689, TC-060985, BB 0262399, C3219, FT-0740198, Y-5920, I14-8915, Acetylimidazole, C5H6N2O, KST-1B5115, AR-1A9905, CID538972, 5411-69-8,

Complexity	103
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	110.048g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	110.116g/mol
Monoisotopic Mass	110.048g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.1

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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