4-Ethynyl-4'-pentyl-1,1'-biphenyl

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Catalog Number

ACM80563435

Product Name

Structure

CAS

80563-43-5

Category

Heterocyclic Organic Compound

IUPAC Name

1-ethynyl-4-(4-pentylphenyl)benzene

Molecular Weight

248.4g/mol

Molecular Formula

C19H20

Canonical SMILES

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#C

InChI

InChI=1S/C19H20/c1-3-5-6-7-17-10-14-19(15-11-17)18-12-8-16(4-2)9-13-18/h2,8-15H,3,5-7H2,1H3

InChI Key

SVHXPGWTCYKGGU-UHFFFAOYSA-N

Complexity

278

Covalently-Bonded Unit Count

Exact Mass

248.156501g/mol

Formal Charge

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

Monoisotopic Mass

248.156501g/mol

Rotatable Bond Count

XLogP3

6.2

MSDS

COA

Spec Sheet

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