CAS 56683-55-7 4'-Carboxybenzo-15-crown 5-Ether

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4'-Carboxybenzo-15-crown 5-Ether

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Catalog Number

ACM56683557-1

CAS Number

56683-55-7

Product Name

4'-Carboxybenzo-15-crown 5-Ether

Structure

Category

Macrocycles; Supramolecular Host Materials

IUPAC Name

2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17-carboxylic acid

Molecular Weight

312.31g/mol

Molecular Formula

C15H20O7

Canonical SMILES

C1COCCOC2=C(C=C(C=C2)C(=O)O)OCCOCCO1

InChI

InChI=1S/C15H20O7/c16-15(17)12-1-2-13-14(11-12)22-10-8-20-6-4-18-3-5-19-7-9-21-13/h1-2,11H,3-10H2,(H,16,17)

InChI Key

FBNLTQGIRRAGRY-UHFFFAOYSA-N

Complexity

323

Covalently-Bonded Unit Count

Exact Mass

312.120903g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

312.120903g/mol

Rotatable Bond Count

XLogP3

-0.1

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