CAS 1092522-74-1 [9]Cycloparaphenylene, 95% - Materials / Alfa Chemistry

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Carbon Nanomaterials

[9]Cycloparaphenylene, 95%

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Catalog Number

ACM1092522741

Product Name

[9]Cycloparaphenylene, 95%

CAS

1092522-74-1

Category

Carbon Nanomaterials

IUPAC Name

decacyclo[32.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33]tetrapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53-heptacosaene

Molecular Weight

684.9g/mol

Molecular Formula

C54H36

Canonical SMILES

C1=CC2=C3C=CC(=C4C=CC(=C5C=CC(=C6C=CC(=C7C=CC(=C8C=CC(=C9C=CC(=C%10C=CC(=C1C=C2)C=C%10)C=C9)C=C8)C=C7)C=C6)C=C5)C=C4)C=C3

InChI

InChI=1S/C54H36/c1-2-38-4-3-37(1)39-5-7-41(8-6-39)43-13-15-45(16-14-43)47-21-23-49(24-22-47)51-29-31-53(32-30-51)54-35-33-52(34-36-54)50-27-25-48(26-28-50)46-19-17-44(18-20-46)42-11-9-40(38)10-12-42/h1-36H

InChI Key

BCBQSMROYIVIJC-UHFFFAOYSA-N

Complexity

1790

Covalently-Bonded Unit Count

Exact Mass

684.281701g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

684.281701g/mol

Rotatable Bond Count