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1,2-Diethoxybenzene

CAT: 0024-sc-265011Size: 50 gDry Ice: NoHazardous: No
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CAT#:0024-sc-265011Size:50 g
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CAS Number
2050-46-6

Chemical Information

o-Diethoxybenzene
CAS Number2050-46-6
PubChem CID74904
IUPAC Name1,2-diethoxybenzene
Molecular FormulaC10H14O2
Molecular Weight166.22
XLogP2.4
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count12
Formal Charge0
Complexity100
SMILES
CCOC1=CC=CC=C1OCC
InChI
InChI=1S/C10H14O2/c1-3-11-9-7-5-6-8-10(9)12-4-2/h5-8H,3-4H2,1-2H3
InChIKey
QZYDOKBVZJLQCK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of o-Diethoxybenzene
CAS: 2050-46-6
CID: 74904
Formula: C10H14O2
MW: 166.22
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight166.22
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass166.099379685
Monoisotopic Mass166.099379685
Topological Polar Surface Area18.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity100
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