CAS 70069-04-4 2-(Hydroxymethyl)-18-crown 6-Ether

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2-(Hydroxymethyl)-18-crown 6-Ether

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Catalog Number

ACM70069044-1

CAS Number

70069-04-4

Product Name

2-(Hydroxymethyl)-18-crown 6-Ether

Structure

Category

Macrocycles; Supramolecular Host Materials

IUPAC Name

1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanol

Molecular Weight

294.34g/mol

Molecular Formula

C13H26O7

Canonical SMILES

C1COCCOCCOC(COCCOCCO1)CO

InChI

InChI=1S/C13H26O7/c14-11-13-12-19-8-7-17-4-3-15-1-2-16-5-6-18-9-10-20-13/h13-14H,1-12H2

InChI Key

HFRGASADQCZXHH-UHFFFAOYSA-N

Complexity

203

Covalently-Bonded Unit Count

EC Number

274-299-3

Exact Mass

294.167853g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

294.167853g/mol

Rotatable Bond Count

XLogP3

-1.5

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