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(C60-Ih)[5,6]fullerene | SBID = 2218 | Compound |
Structure
Molecular Properties
Interactions: |
4
|
PubChem TPSA/Å2: |
0.0 |
Ertl TPSA/Å2: |
0.0 |
Hydrophilicity (PubChem XLogP): |
16.4 |
Hydrophilicity (Cheng XLogP3): |
17.49 |
Charge: |
0.0 |
Number of H-Bond Donors: |
0.0 |
Number of H-Bond Acceptors: |
0.0 |
Number of Stereogenic Bonds (E/Z): |
0.0 |
Number of Stereogenic Atoms (R/S): |
0.0 |
3D Volume/Å3: |
|
Sum Formula: |
C60 |
M / g/mol: |
720.6 |
Complexity: |
2030.0 |
Number of Conformers: |
0.0 |
Identifiers
-
Tags:
-
Name:
(C60-Ih)[5,6]fullerene
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Preferred Abbreviation:
Buckminsterfullerene
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IUPAC Name:
(C60-Ih)[5,6]fullerene
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CAS:
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CID:
123591
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InChiKey:
XMWRBQBLMFGWIX-UHFFFAOYSA-N
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InChi:
InChI=1S/C60/c1-2-5-6-3(1)8-12-10-4(1)9-11-7(2)17-21-13(5)23-24-14(6)22-18(8)28-20(12)30-26-16(10)15(9)25-29-19(11)27(17)37-41-31(21)33(23)43-44-34(24)32(22)42-38(28)48-40(30)46-36(26)35(25)45-39(29)47(37)55-49(41)51(43)57-52(44)50(42)56(48)59-54(46)53(45)58(55)60(57)59
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CanoSmiles:
C12=C3C4=C5C6=C1C7=C8C9=C1C%10=C%11C(=C29)C3=C2C3=C4C4=C5C5=C9C6=C7C6=C7C8=C1C1=C8C%10=C%10C%11=C2C2=C3C3=C4C4=C5C5=C%11C%12=C(C6=C95)C7=C1C1=C%12C5=C%11C4=C3C3=C5C(=C81)C%10=C23
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IsoSmiles:
C12=C3C4=C5C6=C1C7=C8C9=C1C%10=C%11C(=C29)C3=C2C3=C4C4=C5C5=C9C6=C7C6=C7C8=C1C1=C8C%10=C%10C%11=C2C2=C3C3=C4C4=C5C5=C%11C%12=C(C6=C95)C7=C1C1=C%12C5=C%11C4=C3C3=C5C(=C81)C%10=C23