Name: Name:[2.2]Orthocyclophane
Brand: Angene
SKU: AG00B44H
Rating: 90 (10 reviews)

[2.2]Orthocyclophane

CAS No.:

1460-59-9

Catalog Number:

AG00B44H

Molecular Formula:

C16H16

Molecular Weight:

208.2982

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Product Description

Catalog Number:

AG00B44H

Chemical Name:

[2.2]Orthocyclophane

CAS Number:

1460-59-9

Molecular Formula:

C16H16

Molecular Weight:

208.2982

MDL Number:

MFCD01846040

IUPAC Name:

tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaene

InChI:

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

InChI Key:

PCQPMHABIFETBJ-UHFFFAOYSA-N

SMILES:

c1ccc2c(c1)CCc1c(CC2)cccc1

NSC Number:

206242

Properties

Complexity:

172

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

208.125g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

208.304g/mol

Monoisotopic Mass:

208.125g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

0A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.8

Literature

Title	Journal
Radical reactivity of aza[60]fullerene: preparation of monoadducts and limitations.	The Journal of organic chemistry 20100618