Name: 1,4-cyclohexadiene
SMILES:
C1=CCC=CC1Molecular Processing
Molecular formula
C6H8
Molecular weight
80.13
Exact mass
80.0626
XLogP
1.89
TPSA
0
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
0
Heavy atoms
6
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
0
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
27.51
Supplementary Information
Details werden geladen…
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