Molecular Weight of Fullerene C60 (C60)

Molecular Weight Description

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Additional Information for Identifying Fullerene C60 Molecule

• Structure Data File (SDF/MOL File) of Fullerene C60

  The structure data file (SDF/MOL File) of Fullerene C60 is available for download in the SDF page of Fullerene C60, which provides the information on atoms, bonds, connectivity and coordinates of Fullerene C60. The Fullerene C60 structure data file can be imported to most of the chemistry-related software, providing three-dimensional visualization and further analysis.

• Chemical structure of Fullerene C60

  The molecular structure image of Fullerene C60 is available in chemical structure page of Fullerene C60, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in Fullerene C60 and the chemical bonds that hold the atoms together.

• Chemical formula of Fullerene C60

  The molecular formula of Fullerene C60 is given in chemical formula page of Fullerene C60, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

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• InChI (IUPAC International Chemical Identifier) information of Fullerene C60

  In addition to the molecular weight information, the structural information of Fullerene C60 in a textual expression is available via InChi. The full standard InChI of Fullerene C60 is given below:

  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

  It can provide a way to encode the molecular information of Fullerene C60 to facilitate the search for the compound information in databases and on the web.

  The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of Fullerene C60 is:

  InChIKey=XMWRBQBLMFGWIX-UHFFFAOYSA-N

  It may allow easier web searches for Fullerene C60. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the Fullerene C60 as the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of Fullerene C60

  There may be different names of the Fullerene C60 compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:

  • Fullerene carbon soot (contains 5-8wt% C60/C70 and higher fullerenes)
  • I14-100412
  • 3B1-009362
  • W-204191
  • C-58450
  • X4482
  • Fullerene powder, C60, 99.5% 100mg
  • (C\\{60}-I\\{h})[5,6]fullerene
  • NP9U26B839
  • Fullerenes - C60/C70 mixture

  • Fullerene powder, sublimed
  • Fullerene Extract, C60
  • [60-Ih]fullerene
  • 60C
  • Fullerene-C60
  • Fullerene-C??
  • Buckminsterfulleren
  • buckminsterfulereno
  • Fullerite
  • soccerballene

  • (C_{60}-I_{h})[5,6]fullerene
  • MFCD00151408
  • C60 Compound
  • (5,6)Fullerene-C60-Ih
  • Buckminsterfullerene C60
  • Fullerene - C60
  • Carbon C60
  • 131159-39-2
  • Fullerene powder
  • (C60-Ih)[5,6]fullerene

  • [5,6]fullerene-C60-Ih
  • Footballene
  • Fullerene 60
  • 99685-96-8
  • Buckyball
  • [60]fullerene
  • Buckminsterfullerene
  • Fullerene
  • Fullerene C60
  • Fullerene powder, mixed

  • C??

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Fullerene C60 Identification Summary Frequently Asked Questions (FAQs)

What’s the formula of Fullerene C60?
C60
How many atoms and what are the elements in the Fullerene C60 molecule?
60 atom(s) - 60 Carbon atom(s)
How many chemical bonds and what types of bonds are in the Fullerene C60 structure?
90 bond(s) - 90 non-H bond(s), 90 multiple bond(s), 90 aromatic bond(s), 12 five-membered ring(s), 19 six-membered ring(s), 57 nine-membered ring(s), 27 ten-membered ring(s), 54 eleven-membered ring(s), and 84 twelve-membered ring(s)
What’s the molar mass of Fullerene C60?
720.642 g/mol
What’s the SMILES format of Fullerene C60?
c12c3c4c5c1c6c7c8c2c9c%10c3c%11c%12c4c%13c%14c5c%15c6c%16c7c%17c%18c8c9c%19c%20c%10c%11c%21c%22c%12c%13c%23c%24c%14c%15c%25c%16c%26c%17c%27c%18c%19c%28c%20c%21c%29c%22c%23c%30c%24c%25c%26c%31c%27c%28c%29c%30%31
What’s the InChI format of Fullerene C60?
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
What’s the InChIKey string of Fullerene C60?
XMWRBQBLMFGWIX-UHFFFAOYSA-N

5932 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).