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6,6-Dimethoxy-2,2-binaphthalene

CAT: 0926-EBA61945-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-EBA61945-01Size:100 mg
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CAS Number
29619-45-2
Smiles
COC1=CC2=C (C=C1) C=C (C=C2) C3=CC4=C (C=C3) C=C (C=C4) OC
Molecular Formula
C22H18O2
Molecular Weight
314.4 g/mol
Controlled
No

Chemical Information

6,6'-Dimethoxy-2,2'-binaphthalenyl
CAS Number29619-45-2
PubChem CID349174
IUPAC Name2-methoxy-6-(6-methoxynaphthalen-2-yl)naphthalene
Molecular FormulaC22H18O2
Molecular Weight314.4
XLogP6
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity371
SMILES
COC1=CC2=C(C=C1)C=C(C=C2)C3=CC4=C(C=C3)C=C(C=C4)OC
InChI
InChI=1S/C22H18O2/c1-23-21-9-7-17-11-15(3-5-19(17)13-21)16-4-6-20-14-22(24-2)10-8-18(20)12-16/h3-14H,1-2H3
InChIKey
FYVICNOBWLSECU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6,6'-Dimethoxy-2,2'-binaphthalenyl
CAS: 29619-45-2
CID: 349174
Formula: C22H18O2
MW: 314.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight314.4
XLogP36
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass314.130679813
Monoisotopic Mass314.130679813
Topological Polar Surface Area18.5 Ų
Heavy Atom Count24
Formal Charge0
Complexity371
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