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84656-75-7 | 1-Methyl-4-[(trans,trans);-4'-propyl[1,1'-bicyclohexyl]-4-yl]benzene
CAS No: 84656-75-7 Catalog No: AG004SZK MDL No:MFCD13182311
Product Description
Catalog Number:
AG004SZK
Chemical Name:
1-Methyl-4-[(trans,trans);-4'-propyl[1,1'-bicyclohexyl]-4-yl]benzene
CAS Number:
84656-75-7
Molecular Formula:
C22H34
Molecular Weight:
298.5054
MDL Number:
MFCD13182311
IUPAC Name:
1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
InChI:
InChI=1S/C22H34/c1-3-4-18-7-11-20(12-8-18)22-15-13-21(14-16-22)19-9-5-17(2)6-10-19/h5-6,9-10,18,20-22H,3-4,7-8,11-16H2,1-2H3
InChI Key:
SDESCXGEQILYTQ-UHFFFAOYSA-N
SMILES:
CCC[C@@H]1CC[C@H](CC1)C1CCC(CC1)c1ccc(cc1)C
EC Number:
617-606-1
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.266g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.514g/mol
Monoisotopic Mass:
298.266g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.6
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