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3,3'-Dimethoxybiphenyl

CAT: 0024-sc-231964Size: 10 gDry Ice: NoHazardous: No
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CAT#:0024-sc-231964Size:10 g
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CAS Number
6161-50-8

Chemical Information

3,3'-Dimethoxybiphenyl
CAS Number6161-50-8
PubChem CID80265
IUPAC Name1-methoxy-3-(3-methoxyphenyl)benzene
Molecular FormulaC14H14O2
Molecular Weight214.26
XLogP3.5
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity183
SMILES
COC1=CC=CC(=C1)C2=CC(=CC=C2)OC
InChI
InChI=1S/C14H14O2/c1-15-13-7-3-5-11(9-13)12-6-4-8-14(10-12)16-2/h3-10H,1-2H3
InChIKey
UCHNVSDXSPIKRG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,3'-Dimethoxybiphenyl
CAS: 6161-50-8
CID: 80265
Formula: C14H14O2
MW: 214.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight214.26
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass214.099379685
Monoisotopic Mass214.099379685
Topological Polar Surface Area18.5 Ų
Heavy Atom Count16
Formal Charge0
Complexity183
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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