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    Fullerene C70

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 115383-22-7, C70 fullerene, Fullerene 70, (c70-d5h(6))[5,6]fullerene, [5,6]-fullerene-c70, Mfcd31654066
    Molecular Formula
    C70
    Molecular Weight
    840.7  g/mol
    InChI Key
    ATLMFJTZZPOKLC-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (C70-D5h(6))[5,6]fullerene
    2.1.2 InChI
    InChI=1S/C70/c1-2-22-5-6-24-13-14-26-11-9-23-4-3(21(1)51-52(22)54(24)55(26)53(23)51)33-31(1)61-35-7-8-27-15-16-29-19-20-30-18-17-28-12-10(25(7)56-57(27)59(29)60(30)58(28)56)37(35)63(33)65-36(4)40(9)67(44(17)42(12)65)69-46(11)47(14)70(50(20)49(18)69)68-43(13)39(6)66(45(16)48(19)68)64-34(5)32(2)62(61)38(8)41(15)64
    2.1.3 InChI Key
    ATLMFJTZZPOKLC-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C12=C3C4=C5C6=C7C8=C9C%10=C%11C%12=C%13C%10=C%10C8=C5C1=C%10C1=C%13C5=C8C1=C2C1=C3C2=C3C%10=C%13C%14=C3C1=C8C1=C3C5=C%12C5=C8C%11=C%11C9=C7C7=C9C6=C4C2=C2C%10=C4C(=C29)C2=C6C(=C8C8=C9C6=C4C%13=C9C(=C%141)C3=C85)C%11=C27
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. C70 Fullerene

    2. Fullerene 70

    2.2.2 Depositor-Supplied Synonyms

    1. 115383-22-7

    2. C70 Fullerene

    3. Fullerene 70

    4. (c70-d5h(6))[5,6]fullerene

    5. [5,6]-fullerene-c70

    6. Mfcd31654066

    7. Rugbyballene

    8. [5,6]fullerene-c70-d5h(6)

    9. Fullerene C-70

    10. Carbon C70

    11. Fullerene - C70

    12. [70-d5h]fullerene

    13. Buckminsterfullerene C70

    14. Chebi:33195

    15. Dtxsid90151050

    16. [5,6]fullerene-c70-d5h(6

    17. (5,6)fullerene-c70-d5h (6)

    18. Zinc96068395

    19. Akos037648485

    20. Bs-14126

    21. F1233

    22. Ft-0626557

    23. D82998

    24. Q3885009

    25. Fullerene C70 (purified By Sublimation) [for Organic Electronics]

    2.3 Create Date
    2007-07-03
    3 Chemical and Physical Properties
    Molecular Weight 840.7 g/mol
    Molecular Formula C70
    XLogP310.1
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count0
    Rotatable Bond Count0
    Exact Mass840 g/mol
    Monoisotopic Mass840 g/mol
    Topological Polar Surface Area0 Ų
    Heavy Atom Count70
    Formal Charge0
    Complexity4760
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1