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Benzofuran-2 (3H) -one

CAT: 0013-GTR19254827Size: 10 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19254827Size:10 g
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Description
Benzofuran-2 (3H) -one is a benzofuran derivative widely used in biochemical experiments and drug synthesis research.
CAS Number
553-86-6
Purity
99.06% (May vary between batches)
Smiles
O=C1OC=2C=CC=CC2C1
Molecular Formula
C8H6O2
Molecular Weight
134.13
Storage Conditions
Powder: -20°C for 3 years | In solvent: -80°C for 1 year
Notes
For research use only.

Chemical Information

2(3H)-Benzofuranone

structure in first source

CAS Number553-86-6
PubChem CID68382
IUPAC Name3H-1-benzofuran-2-one
Molecular FormulaC8H6O2
Molecular Weight134.13
XLogP1.3
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity153
SMILES
C1C2=CC=CC=C2OC1=O
InChI
InChI=1S/C8H6O2/c9-8-5-6-3-1-2-4-7(6)10-8/h1-4H,5H2
InChIKey
ACZGCWSMSTYWDQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2(3H)-Benzofuranone
CAS: 553-86-6
CID: 68382
Formula: C8H6O2
MW: 134.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight134.13
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass134.036779430
Monoisotopic Mass134.036779430
Topological Polar Surface Area26.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity153
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

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