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1,2-Diphenoxybenzene

CAT: 0127-OR72114-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR72114-01Size:1 g
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CAS Number
3379-37-1
Purity
=95%
Smiles
O(c1ccccc1)c2ccccc2Oc3ccccc3

Chemical Information

1,2-Diphenoxybenzene

1,2-diphenoxybenzene is a diphenoxybenzene.

CAS Number3379-37-1
PubChem CID621655
IUPAC Name1,2-diphenoxybenzene
Molecular FormulaC18H14O2
Molecular Weight262.3
XLogP4.5
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity239
SMILES
C1=CC=C(C=C1)OC2=CC=CC=C2OC3=CC=CC=C3
InChI
InChI=1S/C18H14O2/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20-16-11-5-2-6-12-16/h1-14H
InChIKey
FIPTYOFKSOWKTF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,2-Diphenoxybenzene
CAS: 3379-37-1
CID: 621655
Formula: C18H14O2
MW: 262.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight262.3
XLogP34.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass262.099379685
Monoisotopic Mass262.099379685
Topological Polar Surface Area18.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity239
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