Products for Research Use Only

2-Acetylbenzofuran

CAT: 0926-FA33089-01Size: 10 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-FA33089-01Size:10 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1646-26-0
Synonyms
2-Benzofuranyl methyl ketone;1- (Benzofuran-2-yl) ethanone;2-Acetylcoumarone;2-Acetylcumarone
MDL Number
MFCD00005849
Smiles
CC (=O) C1=CC2=CC=CC=C2O1
Molecular Formula
C10H8O2
Molecular Weight
160.17 g/mol
Controlled
No

Chemical Information

2-Acetylbenzofuran

structure in first source

CAS Number1646-26-0
PubChem CID15435
IUPAC Name1-(1-benzofuran-2-yl)ethanone
Molecular FormulaC10H8O2
Molecular Weight160.17
XLogP2.6
Topological Polar Surface Area30.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity188
SMILES
CC(=O)C1=CC2=CC=CC=C2O1
InChI
InChI=1S/C10H8O2/c1-7(11)10-6-8-4-2-3-5-9(8)12-10/h2-6H,1H3
InChIKey
YUTFQTAITWWGFH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Acetylbenzofuran
CAS: 1646-26-0
CID: 15435
Formula: C10H8O2
MW: 160.17
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight160.17
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass160.052429494
Monoisotopic Mass160.052429494
Topological Polar Surface Area30.2 Ų
Heavy Atom Count12
Formal Charge0
Complexity188
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes