[2.2]Paracyclophane CAS NO.1633-22-3

1. Introduction of[2.2]Paracyclophane

The[2.2]Paracyclophane, with its CAS NO1633-…

1. Introduction of [2.2]Paracyclophane

 

 

The [2.2]Paracyclophane, with its CAS NO 1633-22-3, is a kind of white powder. It has synonyms of 1,4-Carbophane;Cyclobis(benzene-1,4-dimethylene);Di-1,4-xylylene;Di-p-xylylene;NSC 91575;[2.2](1,4)Cyclophane;[2.2]-p-Cyclophane;2.2 -paracyclophane and [2.2]Paracyclophane. [2.2]Paracyclophane should be stored in shady and cool warehouse.

 

2. Properties of [2.2]Paracyclophane

 

(1) XLogP3 3.7  (2) Exact Mass 208.125201 (3) MonoIsotopic Mass 208.125201
(4) Topological Polar Surface Area 0 (5) Heavy Atom Count 16  (6) Complexity 156 
(7) Covalently-Bonded Unit Count 1     (8) Feature 3D Ring Count 2 (9) Effective Rotor Count 0.8
(10) Conformer Sampling RMSD 0.4  (11) CID Conformer Count 1
 

 

3. Structure descriptors of [2.2]Paracyclophane

 

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

InChIKey: OOLUVSIJOMLOCB-UHFFFAOYSA-N

Canonical SMILES : C1CC2=CC=C(CCC3=CC=C1C=C3)C=C2