| CAS Number | 1222105-42-1 |
| Catalog Number | AG01FNDC(AGN-PC-3H5NG9) |
| Chemical Name | [7]Cycloparaphenylene |
| IUPAC Name | octacyclo[24.2.2.22,5.26,9.210,13.214,17.218,21.222,25]dotetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosaene |
| InChI | InChI=1S/C42H28/c1-2-30-4-3-29(1)31-5-7-33(8-6-31)35-13-15-37(16-14-35)39-21-23-41(24-22-39)42-27-25-40(26-28-42)38-19-17-36(18-20-38)34-11-9-32(30)10-12-34/h1-28H |
| InChI Key | WGYDELDXZJCAJB-UHFFFAOYSA-N |
| MDL Number | MFCD32062879 |
| Molecular Formula | C42H28 |
| Molecular Weight | 532.6717 |
| SMILES | C1=CC2=CC=C1C1=CC=C(C=C1)C1=CC=C(C=C1)C1=CC=C(C=C1)C1=CC=C(C=C1)C1=CC=C(C=C1)C1=CC=C2C=C1 |
| Synonyms | [7]Cycloparaphenylene,
1222105-42-1,
|
| Complexity | 1340 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 532.219101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 42 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 532.7g/mol |
| Monoisotopic Mass | 532.219101g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 8.2 |
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Certificate of Analysis
Lot Number