4'-Formylbenzo-15-crown 5-ether

Name: 4'-Formylbenzo-15-crown 5-ether
SKU: ACM60835736
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Catalog NumberACM60835736

CAS Number60835-73-6

CategoryMacrocycles; Supramolecular Host Materials

IUPAC Name

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

Molecular Weight

296.31g/mol

Molecular Formula

C15H20O6

Canonical SMILES

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

InChI

InChI=1S/C15H20O6/c16-12-13-1-2-14-15(11-13)21-10-8-19-6-4-17-3-5-18-7-9-20-14/h1-2,11-12H,3-10H2

InChI Key

MBJIKIAWNPEHOR-UHFFFAOYSA-N

Purity

>98.0%(GC)

Complexity

285

Covalently-Bonded Unit Count

Exact Mass

296.125988g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

296.125988g/mol

NSC Number

288923

Rotatable Bond Count

XLogP3

0.5

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