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7-tert-butyl-1-methylpyrene

7-tert-butyl-1-methylpyrene

CAS: 155386-57-5

Formula: C21H20

SMILES: CC1=CC=C2C=CC3=CC(=CC4=C3C2=C1C=C4)C(C)(C)C

IUPAC: 7-tert-butyl-1-methylpyrene

InChI: InChI=1S/C21H20/c1-13-5-6-14-7-8-15-11-17(21(2,3)4)12-16-9-10-18(13)20(14)19(15)16/h5-12H,1-4H3

Composition: C (92.60%), H (7.40%)

Molar Mass: 272.391

Atom Count: 41

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 272.156500644
Formal Charge 0
FSP3 0.24
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey YMYRIGNUXGMIRL-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 90.43
Topological Polar Surface Area 0
Polarizability 39
Ring Count 4
Rotatable Bond Count 1

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