3-Acetylbenzo[b]furan

CAT: 0926-RCA61115-01Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-RCA61115-01Size:0.5 g

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CAS Number

66611-15-2

MDL Number

MFCD06227442

Smiles

CC (=O) C1=COC2=CC=CC=C21

Molecular Formula

C10H8O2

Molecular Weight

160.17 g/mol

Controlled

Chemical Information

1-(1-Benzofuran-3-yl)ethan-1-one

CAS Number	66611-15-2
PubChem CID	11286612
IUPAC Name	1-(1-benzofuran-3-yl)ethanone
Molecular Formula	C10H8O2
Molecular Weight	160.17
XLogP	2
Topological Polar Surface Area	30.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	188

SMILES

CC(=O)C1=COC2=CC=CC=C21

InChI

InChI=1S/C10H8O2/c1-7(11)9-6-12-10-5-3-2-4-8(9)10/h2-6H,1H3

InChIKey

CHGABJRZTFUHDT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 66611-15-2

CID: 11286612

Formula: C10H8O2

MW: 160.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	160.17
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	160.052429494
Monoisotopic Mass	160.052429494
Topological Polar Surface Area	30.2 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	188
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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