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4,4'-Dibutoxybiphenyl

CAT: 0024-sc-484951Size: 25 gDry Ice: NoHazardous: No
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CAT#:0024-sc-484951Size:25 g
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CAS Number
39800-63-0

Chemical Information

4,4'-Dibutoxybiphenyl
CAS Number39800-63-0
PubChem CID604312
IUPAC Name1-butoxy-4-(4-butoxyphenyl)benzene
Molecular FormulaC20H26O2
Molecular Weight298.4
XLogP6
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Heavy Atom Count22
Formal Charge0
Complexity235
SMILES
CCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OCCCC
InChI
InChI=1S/C20H26O2/c1-3-5-15-21-19-11-7-17(8-12-19)18-9-13-20(14-10-18)22-16-6-4-2/h7-14H,3-6,15-16H2,1-2H3
InChIKey
IBCVAKLNEYUUBM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,4'-Dibutoxybiphenyl
CAS: 39800-63-0
CID: 604312
Formula: C20H26O2
MW: 298.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight298.4
XLogP36
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Exact Mass298.193280068
Monoisotopic Mass298.193280068
Topological Polar Surface Area18.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity235
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