# Fullerene C60 (CAS 99685-96-8)

CAS: 99685-96-8
PubChem CID: 123591
InChIKey: XMWRBQBLMFGWIX-UHFFFAOYSA-N
Wikidata: Q1075376
Molecular formula: C60
Molar mass: 720.6 g/mol
IUPAC: (C60-Ih)[5,6]fullerene
SMILES: 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
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
logP (XLogP3): 18.3
PSA: 0 A^2
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 0
Heavy atoms: 60
3D structure: 60 atoms, 90 bonds

## About the compound

Fullerene C60 (CAS 99685-96-8) is a chemical compound registered under CAS number 99685-96-8. Molecular formula: C60. Molar mass: 720.6 g/mol. The full systematic IUPAC name is: (C60-Ih)[5,6]fullerene. The molecule contains 60 atoms connected by 90 chemical bonds. 
Chemical data comes from the PubChem (NIH), ChEMBL (EBI) and NIST WebBook databases. GHS statement translations comply with the CLP Regulation (EC 1272/2008). Interactive 3D model and 2D skeleton available at: https://molgod.org/molecule/99685-96-8/


## Synonyms

  - Fullerene
  - Fullerenes
  - Buckyballs
  - Buckminsterfullerenes
  - RefChem:5620
  - CHEBI:33416
  - 99685-96-8
  - Buckminsterfullerene
  - Fullerene-C60
  - Fullerene C60
  - C60 Fullerene
  - Buckyball

## Available in the shop

Shop: MolGod
Product: fullerene C60 (CAS 99685-96-8) — Safety Data Sheet
URL: https://molgod.org/sds-cards/fullerene-c60-cas-99685-96-8-safety-data-sheet/

## Data sources

  - PubChem CID 123591: https://pubchem.ncbi.nlm.nih.gov/compound/123591
  - Wikidata: https://www.wikidata.org/wiki/Q1075376
  - NIST WebBook: https://webbook.nist.gov/cgi/cbook.cgi?ID=99685-96-8
  - ChEMBL: https://www.ebi.ac.uk/chembl/g/#search_results/all/query=99685-96-8

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