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1985-96-2 | Benzene, 1,1'-(1,1-dimethyl-1,2-ethanediyl)bis-
CAS No: 1985-96-2 Catalog No: AG002BKM MDL No:
Product Description
Catalog Number:
AG002BKM
Chemical Name:
Benzene, 1,1'-(1,1-dimethyl-1,2-ethanediyl)bis-
CAS Number:
1985-96-2
Molecular Formula:
C16H18
Molecular Weight:
210.3141
IUPAC Name:
(2-methyl-1-phenylpropan-2-yl)benzene
InChI:
InChI=1S/C16H18/c1-16(2,15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h3-12H,13H2,1-2H3
InChI Key:
GTACQJHQXAMGPH-UHFFFAOYSA-N
SMILES:
CC(c1ccccc1)(Cc1ccccc1)C
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.141g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.32g/mol
Monoisotopic Mass:
210.141g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
Literature
| Title | Journal |
|---|---|
| Absolute configuration and predominant conformations of 1,1-dimethyl-2-phenylethyl phenyl sulfoxide. | Organic & biomolecular chemistry 20050521 |
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