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2-Ethylbenzofuran

CAT: 0127-OR911327-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-OR911327-01Size:5 g
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CAS Number
3131-63-3
MDL Number
MFCD00047287
Purity
98%
Smiles
CCc1oc2ccccc2c1
Storage Conditions
Store at 2-8°C

Chemical Information

2-Ethylbenzofuran
CAS Number3131-63-3
PubChem CID76582
IUPAC Name2-ethyl-1-benzofuran
Molecular FormulaC10H10O
Molecular Weight146.19
XLogP3.2
Topological Polar Surface Area13.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity133
SMILES
CCC1=CC2=CC=CC=C2O1
InChI
InChI=1S/C10H10O/c1-2-9-7-8-5-3-4-6-10(8)11-9/h3-7H,2H2,1H3
InChIKey
KJHYAEZMOHLVCH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Ethylbenzofuran
CAS: 3131-63-3
CID: 76582
Formula: C10H10O
MW: 146.19
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight146.19
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass146.073164938
Monoisotopic Mass146.073164938
Topological Polar Surface Area13.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity133
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