CAS 60835-75-8 4'-Carboxybenzo-18-crown 6-Ether

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4'-Carboxybenzo-18-crown 6-Ether

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Catalog Number

ACM60835758-1

CAS Number

60835-75-8

Product Name

4'-Carboxybenzo-18-crown 6-Ether

Structure

Category

Macrocycles; Supramolecular Host Materials

IUPAC Name

2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene-20-carboxylic acid

Molecular Weight

356.4g/mol

Molecular Formula

C17H24O8

Canonical SMILES

C1COCCOCCOC2=C(C=CC(=C2)C(=O)O)OCCOCCO1

InChI

InChI=1S/C17H24O8/c18-17(19)14-1-2-15-16(13-14)25-12-10-23-8-6-21-4-3-20-5-7-22-9-11-24-15/h1-2,13H,3-12H2,(H,18,19)

InChI Key

GFQYJVLOPVAPGJ-UHFFFAOYSA-N

Complexity

365

Covalently-Bonded Unit Count

Exact Mass

356.147118g/mol

Formal Charge

Heavy Atom Count

Log P

-0.28 (LogP)

Monoisotopic Mass

356.147118g/mol

Rotatable Bond Count

XLogP3

-0.3

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