609771-63-3
Product Name:
(6,6)-PHENYL C71 BUTYRIC ACID METHYL ESTER, 99% (MIXTURE OF ISOMERS)
Formula:
C82H14O2
Synonyms:
[70]PCBM;3′H-Cyclopropa[8,25] [5,6]fullerene-C70-D5h(6)-3′butanoic acid;3′Phenyl-3′H-cyclopropa[8,25] [5,6]fullerene-C70-D5h(6)-3′butanoic acid, methyl ester
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COMPUTED DESCRIPTORS
| Molecular Weight | 1031.0 g/mol |
|---|---|
| XLogP3 | 21.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| Exact Mass | 1030.099379685 g/mol |
| Monoisotopic Mass | 1030.099379685 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 84 |
| Formal Charge | 0 |
| Complexity | 4760 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |