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Ertugliflozin Impurity 22

CAT: 1299-RM-E900022-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-E900022-01Size:10 mg
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CAS Number
7168-54-9
Synonyms
4,4'-diethoxy-1,1'-biphenyl
Molecular Formula
C16H18O2
Molecular Weight
242.32
Target Alternative Name
Ertugliflozin
Product Name Synonym
4,4'-diethoxy-1,1'-biphenyl

Chemical Information

4,4'-Diethoxybiphenyl
CAS Number7168-54-9
PubChem CID617993
IUPAC Name1-ethoxy-4-(4-ethoxyphenyl)benzene
Molecular FormulaC16H18O2
Molecular Weight242.31
XLogP4.2
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count18
Formal Charge0
Complexity189
SMILES
CCOC1=CC=C(C=C1)C2=CC=C(C=C2)OCC
InChI
InChI=1S/C16H18O2/c1-3-17-15-9-5-13(6-10-15)14-7-11-16(12-8-14)18-4-2/h5-12H,3-4H2,1-2H3
InChIKey
WTLUUYXFCHWUJK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,4'-Diethoxybiphenyl
CAS: 7168-54-9
CID: 617993
Formula: C16H18O2
MW: 242.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight242.31
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass242.130679813
Monoisotopic Mass242.130679813
Topological Polar Surface Area18.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity189
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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