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29225-91-0 | 1,1'-Biphenyl, tris(1-methylethyl)-
CAS No: 29225-91-0 Catalog No: AG002XS4 MDL No:
Product Description
Catalog Number:
AG002XS4
Chemical Name:
1,1'-Biphenyl, tris(1-methylethyl)-
CAS Number:
29225-91-0
Molecular Formula:
C21H28
Molecular Weight:
280.4470
IUPAC Name:
1-phenyl-2,3,4-tri(propan-2-yl)benzene
InChI:
InChI=1S/C21H28/c1-14(2)18-12-13-19(17-10-8-7-9-11-17)21(16(5)6)20(18)15(3)4/h7-16H,1-6H3
InChI Key:
YYKBFGMYHQMXIL-UHFFFAOYSA-N
SMILES:
CC(c1c(ccc(c1C(C)C)C(C)C)c1ccccc1)C
EC Number:
249-525-9
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.219g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.455g/mol
Monoisotopic Mass:
280.219g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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