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CAS 609771-63-3

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3'H-Cyclopropa[8,25][5,6]fullerene-C70-D5h(6)-3'-butanoicacid, 3'-phenyl-, methyl ester

Description:
3'H-Cyclopropa[8,25][5,6]fullerene-C70-D5h(6)-3'-butanoic acid, 3'-phenyl-, methyl ester, identified by CAS number 609771-63-3, is a complex organic compound that belongs to the fullerene family. Fullerenes are carbon allotropes characterized by their hollow, spherical structures, and this particular compound features a cyclopropane moiety integrated into a fullerene framework, which can influence its chemical reactivity and physical properties. The presence of functional groups, such as the butanoic acid and phenyl moieties, suggests potential for diverse chemical interactions, including esterification and aromatic substitution. The methyl ester form indicates that the compound is likely to be more soluble in organic solvents, enhancing its utility in various applications, including materials science and nanotechnology. Additionally, the unique structural features may impart interesting optical and electronic properties, making it a subject of interest in research related to organic photovoltaics and drug delivery systems. Overall, this compound exemplifies the intricate design possible within fullerene chemistry, with implications for both theoretical studies and practical applications.
Formula:C82H14O2
InChI:InChI=1S/C82H14O2/c1-84-11(83)8-5-9-80(10-6-3-2-4-7-10)81-76-68-60-50-40-33-24-18-12-13-15-17-16-14(12)20-27-22(16)31-32-23(17)28-21(15)30-26(19(13)24)35-41(33)51(50)61-55-45(35)37(30)47-39(28)49-43(32)53-52-42(31)48-38(27)46-36-29(20)25(18)34(40)44(36)54(60)64-58(46)66-56(48)62(52)70-71-63(53)57(49)67-59(47)65(55)73(77(81)69(61)68)75(67)79(71)82(80,81)78(70)74(66)72(64)76/h2-4,6-7H,5,8-9H2,1H3
InChI key:InChIKey=AZSFNTBGCTUQFX-UHFFFAOYSA-N
SMILES:C(CCC(OC)=O)C1(C23C14C=5C=6C=7C2=C8C9=C3C=%10C=%11C4=C%12C5C=%13C=%14C6C=%15C7C=%16C8=C%17C%18=C9C=%19C%10C=%20C%11C=%21C%12=C%22C%13C=%23C%14C=%24C%15C=%25C%16C%26=C%17C%27=C%18C=%28C%19C=%29C%20C=%30C%21C%22=C%31C%23C=%32C%24C=%33C%25C%26=C%34C%27=C%35C%28C%29C=%36C%30C%31=C%37C%32C%33C%34=C%35C%36%37)C%38=CC=CC=C%38
Synonyms:
  • (6,6)-phenyl C71 Butyric acid methyl ester
  • (6,6)-phenyl C71 butyric acid methyl ester,mixture of isomers
  • 3′H-Cyclopropa[8,25][5,6]fullerene-C<sub>70</sub>-D<sub>5h</sub><sub>(</sub><sub>6</sub><sub>)</sub>-3′-butanoic acid, 3′-phenyl-, methyl ester
  • Ads 71Bfa
  • C 70Pcbm
  • C 71Pcbm
  • E 110
  • E 110H
  • Fullerene C70PCBM
  • Lt-S923
  • See more synonyms
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