1-Acetylimidazole

CAT: 0063-17909705Size: 100 gDry Ice: NoHazardous: No

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CAT#:0063-17909705Size:100 g

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CAS Number

2466-76-4

Chemical Information

1-(1H-Imidazol-1-yl)ethanone

N-acetylimidazole is a N-acylimidazole.

CAS Number	2466-76-4
PubChem CID	17174
IUPAC Name	1-imidazol-1-ylethanone
Molecular Formula	C5H6N2O
Molecular Weight	110.11
XLogP	-0.3
Topological Polar Surface Area	34.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	103

SMILES

CC(=O)N1C=CN=C1

InChI

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

InChIKey

VIHYIVKEECZGOU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2466-76-4

CID: 17174

Formula: C5H6N2O

MW: 110.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	110.11
XLogP3	-0.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	110.048012819
Monoisotopic Mass	110.048012819
Topological Polar Surface Area	34.9 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

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Catalog	Name
TRC-A179190-250MG	1-Acetylimidazole
228610-01	1-Acetylimidazole 98+%
TRC-A179192-250MG	1-Acetylimidazole-13C2
A08780-01	1-Acetylimidazole 98%
sc-261633A	4-Acetylimidazole
sc-259447A	2-acetylimidazole
260058-01	N-Acetylimidazole
81977-01	N-Acetylimidazole extrapure AR, 98%
OF59775-01	1,1,1,1,1-Kestoheptaose
N2864-5.1	1,1,1,1-Kestohexaose