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n-Octylbenzene

CAT: 0572-TRC-O272850-25GSize: 25 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-O272850-25GSize:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2189-60-8
Hazard Statement
No Data Available
Smiles
CCCCCCCCc1ccccc1
Molecular Formula
C14 H22
Molecular Weight
190.32
InChI
InChI=1S/C14H22/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h7,9-10,12-13H,2-6,8,11H2,1H3
Additionnal Information
IUPAC name: octylbenzene
Shipping Conditions
Room Temperature

Chemical Information

Octylbenzene
CAS Number2189-60-8
PubChem CID16607
IUPAC Nameoctylbenzene
Molecular FormulaC14H22
Molecular Weight190.32
XLogP6.6
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count7
Heavy Atom Count14
Formal Charge0
Complexity111
SMILES
CCCCCCCCC1=CC=CC=C1
InChI
InChI=1S/C14H22/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h7,9-10,12-13H,2-6,8,11H2,1H3
InChIKey
CDKDZKXSXLNROY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Octylbenzene
CAS: 2189-60-8
CID: 16607
Formula: C14H22
MW: 190.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight190.32
XLogP36.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count7
Exact Mass190.172150702
Monoisotopic Mass190.172150702
Topological Polar Surface Area0 Ų
Heavy Atom Count14
Formal Charge0
Complexity111
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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