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(pentyloxy) benzene

CAT: 0024-sc-279957Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-279957Size:1 g
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CAS Number
2050-04-6

Chemical Information

Pentyl phenyl ether
CAS Number2050-04-6
PubChem CID16298
IUPAC Namepentoxybenzene
Molecular FormulaC11H16O
Molecular Weight164.24
XLogP3.9
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Heavy Atom Count12
Formal Charge0
Complexity95
SMILES
CCCCCOC1=CC=CC=C1
InChI
InChI=1S/C11H16O/c1-2-3-7-10-12-11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10H2,1H3
InChIKey
HPUOAJPGWQQRNT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pentyl phenyl ether
CAS: 2050-04-6
CID: 16298
Formula: C11H16O
MW: 164.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight164.24
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass164.120115130
Monoisotopic Mass164.120115130
Topological Polar Surface Area9.2 Ų
Heavy Atom Count12
Formal Charge0
Complexity95.2
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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Alternative Products

CatalogName
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UTB66280-014- (Pentyloxy) -3- (propan-2-yl) benzene-1-sulfonamide
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