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10239-86-8 | Acenaphthylene, 4,7-bis(1,1-dimethylethyl)-1,2-dihydro-
CAS No: 10239-86-8 Catalog No: AG0007C5 MDL No:MFCD00102167
Product Description
Catalog Number:
AG0007C5
Chemical Name:
Acenaphthylene, 4,7-bis(1,1-dimethylethyl)-1,2-dihydro-
CAS Number:
10239-86-8
Molecular Formula:
C20H26
Molecular Weight:
266.4204
MDL Number:
MFCD00102167
IUPAC Name:
4,7-ditert-butyl-1,2-dihydroacenaphthylene
InChI:
InChI=1S/C20H26/c1-19(2,3)16-9-13-7-8-14-10-17(20(4,5)6)12-15(11-16)18(13)14/h9-12H,7-8H2,1-6H3
InChI Key:
QSKBIWMIBNANPR-UHFFFAOYSA-N
SMILES:
CC(c1cc2cc(cc3c2c(c1)CC3)C(C)(C)C)(C)C
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.203g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.428g/mol
Monoisotopic Mass:
266.203g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
Literature
| Title | Journal |
|---|---|
| Ring current effects in crystals. Evidence from 13C chemical shift tensors for intermolecular shielding in 4,7-di-t-butylacenaphthene versus 4,7-di-t-butylacenaphthylene. | The journal of physical chemistry. A 20070315 |
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