Fullerene-c84

• CAS: 135113-16-5
• Catalog Number: ACM135113165
• Category: Organic & Printed Electronics
• Molecular Weight: 1008.9g/mol
• Molecular Formula: C84
• Synonyms: FULLERENE-C84;FullereneCminblackpowder;FULLERENECARBON 84, 99.0+ %, PURIFIED;FULLERENECARBON 84, 95.0+ %, REAGENT;FULLERENECARBON 84, 98.0+ %, REAGENT;Fullerene-C84,min.95%;Fullerene-C84,min.99%;Fullerene - C84, min. 95%
• Canonical SMILES: C12=C3C4=C5C6=C7C8=C9C%10=C%11C%12=C%13C%14=C%15C%16=C%17C%18=C%19C%20=C%21C%22=C(C1=C1C(=C36)C(=C7%10)C(=C%11%14)C(=C%18%15)C1=C%22%19)C1=C2C2=C4C3=C4C5=C8C5=C6C9=C%12C7=C8C%13=C%16C9=C%10C%17=C%20C%11=C%12C%21=C1C1=C2C2=C3C3=C%13C%14=C2C1=C%12C1=C%14C2=C(C%10=C%111)C9=C8C1=C2C%13=C(C5=C43)C6=C71
• InChI: InChI=1S/C84/c1-2-26-29-9-11-36-39-16-18-42-44-22-21-43-41-14-13-35-32-7-5(27-25(1)61(26)73-74(62(27)32)77(67(35)41)81(70(43)44)78(68(39)42)75(73)64(29)36)51-6-8-33-38-15(55(13)53(7)8)17-45-46-23(59(21)57(14)17)24-48-47-20(58(18)60(22)24)19-40-37-12(54(11)56(16)19)10-34-30-4(50(2)52(9)10)3(49(1)51)28-31(6)65(33)79-76(63(28)30)80(66(34)37)83(71(40)47)84(72(46)48)82(79)69(38)45
• InChI Key: FQRWAZOLUJHNDT-UHFFFAOYSA-N
• Complexity: 4110
• Covalently-Bonded Unit Count: 1
• Exact Mass: 1008g/mol
• Formal Charge: 0
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Heavy Atom Count: 84
• Monoisotopic Mass: 1008g/mol
• Rotatable Bond Count: 0
• XLogP3: 25.6