CAS 1633-22-3 [2.2]Paracyclophane - Materials / Alfa Chemistry

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[2.2]Paracyclophane

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Catalog Number

ACM1633223

CAS Number

1633-22-3

Product Name

[2.2]Paracyclophane

Structure

Category

Macrocycles; Supramolecular Host Materials

IUPAC Name

tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene

Molecular Weight

208.3g/mol

Molecular Formula

C16H16

Canonical SMILES

C1CC2=CC=C(CCC3=CC=C1C=C3)C=C2

InChI

InChI=1S/C16H16/c1-2-14-4-3-13(1)9-10-15-5-7-16(8-6-15)12-11-14/h1-8H,9-12H2

InChI Key

OOLUVSIJOMLOCB-UHFFFAOYSA-N

Complexity

156

Covalently-Bonded Unit Count

EC Number

216-644-2

Exact Mass

208.125201g/mol

Formal Charge

Heavy Atom Count

Log P

4.33 (LogP)

MeSH Entry Terms

(2.2)paracyclophane;(3.3)paracyclophane

Monoisotopic Mass

208.125201g/mol

NSC Number

91575

Rotatable Bond Count

UNII

0I9PQB142O

XLogP3

3.7

MSDS

Download MSDS

COA

Download COA

Spec Sheet

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