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114511-55-6 | Propane, bis(methylphenyl)- (9CI)
CAS No: 114511-55-6 Catalog No: AG000ELB MDL No:
Product Description
Catalog Number:
AG000ELB
Chemical Name:
Propane, bis(methylphenyl)- (9CI)
CAS Number:
114511-55-6
Molecular Formula:
C17H20
Molecular Weight:
224.3407
IUPAC Name:
1-methyl-2-[1-(2-methylphenyl)propyl]benzene
InChI:
InChI=1S/C17H20/c1-4-15(16-11-7-5-9-13(16)2)17-12-8-6-10-14(17)3/h5-12,15H,4H2,1-3H3
InChI Key:
YYOQXKIVJCZFBC-UHFFFAOYSA-N
SMILES:
Cc1ccccc1C(c1ccccc1C)(C)C
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.157g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.347g/mol
Monoisotopic Mass:
224.157g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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