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136827-37-7

136827-37-7 | Benzene, 1-(2-heptyl-4-methyl-1-cyclohexen-1-yl)-4-methyl-

CAS No: 136827-37-7 Catalog No: AG0012EO MDL No:

Product Description

Catalog Number:
AG0012EO
Chemical Name:
Benzene, 1-(2-heptyl-4-methyl-1-cyclohexen-1-yl)-4-methyl-
CAS Number:
136827-37-7
Molecular Formula:
C21H32
Molecular Weight:
284.4788
IUPAC Name:
1-(2-heptyl-4-methylcyclohexen-1-yl)-4-methylbenzene
InChI:
InChI=1S/C21H32/c1-4-5-6-7-8-9-20-16-18(3)12-15-21(20)19-13-10-17(2)11-14-19/h10-11,13-14,18H,4-9,12,15-16H2,1-3H3
InChI Key:
IOJBXSYWZCEZCB-UHFFFAOYSA-N
SMILES:
CCCCCCCC1=C(CCC(C1)C)c1ccc(cc1)C

Properties

Complexity:
317  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.25g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.487g/mol
Monoisotopic Mass:
284.25g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3  

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