NAVIGATION


C60MC12, 97%

Catalog Number
ACM403483192-1
CAS Number
403483-19-2
Product Name
C60MC12, 97%
Category
Other Glass and Ceramic Materials
Molecular Weight
1022.1g/mol
Molecular Formula
C81H35N
Canonical SMILES
CCCCCCCCCCCCC1=CC(=CC=C1)C2C34C5=C6C7=C8C5=C9C1=C5C%10=C%11C%12=C%13C%10=C%10C1=C8C1=C8C7=C7C%14=C8C8=C%15C(=C%13C8=C%101)C1=C%12C8=C%10C1=C1C%15=C%14C%12=C1C1=C%10C%10=C%13C8=C%11C8=C5C9=C3C(=C%138)C3=C%10C1=C1C%12=C7C6=C1C43CN2C
InChI
InChI=1S/C81H35N/c1-3-4-5-6-7-8-9-10-11-12-14-19-15-13-16-20(17-19)79-81-77-70-62-50-42-33-24-22-21-23-27(24)36-43-41-32(23)34-30-25(21)28-29-26(22)31-35(33)48(50)56-54-40(31)38(29)46-45-37(28)39(30)53-55-47(34)49(41)61-63-51(43)52(44(36)42)64(62)73(77)72(63)75-68(61)66(55)69-59(53)57(45)65-58(46)60(54)71(67(56)70)78(81)74(65)76(69)80(75,81)18-82(79)2/h13,15-17,79H,3-12,14,18H2,1-2H3
InChI Key
YDAHEEMFHYNKKQ-UHFFFAOYSA-N
Complexity
4520
Covalently-Bonded Unit Count
1
Exact Mass
1021.27695g/mol
Formal Charge
0
Heavy Atom Count
82
Monoisotopic Mass
1021.27695g/mol
Rotatable Bond Count
12
XLogP3
23.6
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