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Corannulene, ≥97%

Catalog Number
ACM5821512
Product Name
Corannulene, ≥97%
Structure
CAS
5821-51-2
Category
Carbon Nanomaterials
IUPAC Name
hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(18),2,4(17),5,7(16),8,10(15),11,13,19-decaene
Molecular Weight
250.3g/mol
Molecular Formula
C20H10
Canonical SMILES
C1=CC2=C3C4=C1C=CC5=C4C6=C(C=C5)C=CC(=C36)C=C2
InChI
InChI=1S/C20H10/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11(1)16-17(12)19(14)20(15)18(13)16/h1-10H
InChI Key
VXRUJZQPKRBJKH-UHFFFAOYSA-N
Complexity
303
Covalently-Bonded Unit Count
1
Exact Mass
250.07825g/mol
Formal Charge
0
Heavy Atom Count
20
MeSH Entry Terms
corannulene
Monoisotopic Mass
250.07825g/mol
Rotatable Bond Count
0
XLogP3
6
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