2-acetylimidazole

CAT: 0024-sc-259447ASize: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-259447ASize:1 g

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CAS Number

53981-69-4

Chemical Information

2-Acetylimidazole

CAS Number	53981-69-4
PubChem CID	538972
IUPAC Name	1-(1H-imidazol-2-yl)ethanone
Molecular Formula	C5H6N2O
Molecular Weight	110.11
XLogP	0.1
Topological Polar Surface Area	45.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	8
Formal Charge	0
Complexity	103

SMILES

CC(=O)C1=NC=CN1

InChI

InChI=1S/C5H6N2O/c1-4(8)5-6-2-3-7-5/h2-3H,1H3,(H,6,7)

InChIKey

OSMJIXXVEWORDJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 53981-69-4

CID: 538972

Formula: C5H6N2O

MW: 110.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	110.11
XLogP3	0.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	110.048012819
Monoisotopic Mass	110.048012819
Topological Polar Surface Area	45.8 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	103
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-261633A	4-Acetylimidazole
sc-253880	1-Acetylimidazole
sc-261633	4-Acetylimidazole
sc-260667	3-Acetylindazole
sc-209283	2,2,2-Trifluoroethyl 2,5-Bis (2,2,2-trifluoroethoxy) benzoate
sc-209282	2,2,2-Trifluoroethyl 2-Hydroxy-5- (2,2,2-trifluoroethoxy) benzoate
sc-474673	2-[2- (2,2,2-Trifluoroethoxy) phenoxy]-ethanol
sc-343301A	2,2,2-trifluoroethyl 2-fluorophenylcarbamate
sc-320473	2- (2,2,2-trifluoroethoxy) benzaldehyde
sc-343303A	2,2,2-trifluoroethyl 2-methoxyphenylcarbamate

Catalog	Name
OR313011-01	2-Acetylimidazole
TRC-A179190-250MG	1-Acetylimidazole
OR1011397-01	4-Acetylimidazole
BIA1755-01	N-Acetylimidazole
228610-01	1-Acetylimidazole 98+%
TRC-A179192-250MG	1-Acetylimidazole-13C2
A08780-01	1-Acetylimidazole 98%
81977-01	N-Acetylimidazole extrapure AR, 98%
PC1003049-01	2,2,2-Trifluoroethyl 2,2,2-trichloroacetate
H 038-005	2'- , 2''-, 2''', 2'''', 2''''', 2''''''- Hexadeoxy- 2'-, 2'', 2''', 2'''', 2''''', 2''''''- hexafluoro- cyclic hexaadenosine monophosphate (2',2'',2''',2'''',2''''',2''''''-Hexa-F-c-hexadAMP / cFA6), sodium salt