الاسم: toluene isohexane
SMILES:
CCCC(C)C.Cc1ccccc1Molecular Processing
Molecular formula
C13H22
Molecular weight
178.32
Exact mass
178.1722
XLogP
4.44
TPSA
0
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
0
Covalent units
2
Fraction Csp3
0.538
Molar refractivity
60.93
Supplementary Information
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