CAS 14098-44-3 Benzo-15-crown 5-Ether - Materials / Alfa Chemistry

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Benzo-15-crown 5-Ether

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Catalog Number

ACM14098443-1

CAS Number

14098-44-3

Product Name

Benzo-15-crown 5-Ether

Structure

Category

Macrocycles; Supramolecular Host Materials

IUPAC Name

2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene

Molecular Weight

268.3g/mol

Molecular Formula

C14H20O5

Canonical SMILES

C1COCCOC2=CC=CC=C2OCCOCCO1

InChI

InChI=1S/C14H20O5/c1-2-4-14-13(3-1)18-11-9-16-7-5-15-6-8-17-10-12-19-14/h1-4H,5-12H2

InChI Key

FNEPSTUXZLEUCK-UHFFFAOYSA-N

Melting Point

79.0 °C

Complexity

202

Covalently-Bonded Unit Count

EC Number

237-947-6

Exact Mass

268.131074g/mol

Formal Charge

Heavy Atom Count

Log P

0.91 (LogP)

Monoisotopic Mass

268.131074g/mol

NSC Number

175877

Rotatable Bond Count

XLogP3

0.9

MSDS

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COA

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Spec Sheet

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