4-Ethyl-4'-ethynylbiphenyl

CAS
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CAS
477587-89-6
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Catalog Number

ACM477587896

Product Name

4-Ethyl-4'-ethynylbiphenyl

Structure

CAS

477587-89-6

Category

Heterocyclic Organic Compound

Synonyms

1,1-Biphenyl,4-ethyl-4-ethynyl-(9CI);4-Ethyl-4'-ethynyl-1,1'-biphenyl;4-Ethyl-4'-ethynylbiphenyl

IUPAC Name

1-ethyl-4-(4-ethynylphenyl)benzene

Molecular Weight

206.28g/mol

Molecular Formula

C16H14

Canonical SMILES

CCC1=CC=C(C=C1)C2=CC=C(C=C2)C#C

InChI

InChI=1S/C16H14/c1-3-13-5-9-15(10-6-13)16-11-7-14(4-2)8-12-16/h1,5-12H,4H2,2H3

InChI Key

LMCBMOAZJXJAIV-UHFFFAOYSA-N

Density

1.03

Complexity

241

Covalently-Bonded Unit Count

Exact Mass

206.10955g/mol

Formal Charge

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

Monoisotopic Mass

206.10955g/mol

Rotatable Bond Count

XLogP3

4.6

MSDS

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COA

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Spec Sheet

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