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LY 320135

CAT: 0926-BL159423-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-BL159423-01Size:10 mg
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CAS Number
176977-56-3
Synonyms
4-[[6-Methoxy-2- (4-Methoxyphenyl) -3-Benzofuranyl]Carbonyl]-Benzonitrile
Smiles
COC1=CC=C (C=C1) C2=C (C3=C (O2) C=C (C=C3) OC) C (=O) C4=CC=C (C=C4) C#N
Molecular Formula
C24H17NO4
Molecular Weight
383.4 g/mol
Controlled
No

Chemical Information

4-((6-Methoxy-2-(4-methoxyphenyl)-1-benzofuran-3-yl)carbonyl)benzonitrile

4-[[6-methoxy-2-(4-methoxyphenyl)-3-benzofuranyl]-oxomethyl]benzonitrile is a member of benzofurans.

CAS Number176977-56-3
PubChem CID5311257
IUPAC Name4-[6-methoxy-2-(4-methoxyphenyl)-1-benzofuran-3-carbonyl]benzonitrile
Molecular FormulaC24H17NO4
Molecular Weight383.4
XLogP5
Topological Polar Surface Area72.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity612
SMILES
COC1=CC=C(C=C1)C2=C(C3=C(O2)C=C(C=C3)OC)C(=O)C4=CC=C(C=C4)C#N
InChI
InChI=1S/C24H17NO4/c1-27-18-9-7-17(8-10-18)24-22(20-12-11-19(28-2)13-21(20)29-24)23(26)16-5-3-15(14-25)4-6-16/h3-13H,1-2H3
InChIKey
RYNSGDFWBJWWSZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-((6-Methoxy-2-(4-methoxyphenyl)-1-benzofuran-3-yl)carbonyl)benzonitrile
CAS: 176977-56-3
CID: 5311257
Formula: C24H17NO4
MW: 383.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight383.4
XLogP35
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass383.11575802
Monoisotopic Mass383.11575802
Topological Polar Surface Area72.5 Ų
Heavy Atom Count29
Formal Charge0
Complexity612
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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