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146745-02-0 | Benzene, [3,5-bis(1,1-dimethylethyl)-1,3-cyclohexadien-1-yl]-
CAS No: 146745-02-0 Catalog No: AG001EA7 MDL No:
Product Description
Catalog Number:
AG001EA7
Chemical Name:
Benzene, [3,5-bis(1,1-dimethylethyl)-1,3-cyclohexadien-1-yl]-
CAS Number:
146745-02-0
Molecular Formula:
C20H28
Molecular Weight:
268.4363
IUPAC Name:
3,5-ditert-butyl-1-phenylcyclohexa-1,3-diene
InChI:
InChI=1S/C20H28/c1-19(2,3)17-12-16(15-10-8-7-9-11-15)13-18(14-17)20(4,5)6/h7-12,14,18H,13H2,1-6H3
InChI Key:
YGTXAQYKYTXMKO-UHFFFAOYSA-N
SMILES:
CC(C1CC(=CC(=C1)C(C)(C)C)c1ccccc1)(C)C
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.219g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.444g/mol
Monoisotopic Mass:
268.219g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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