Name: 4,5-dimethyl-1,2-benzoquinone
SMILES:
CC1=CC(=O)C(=O)C=C1CMolecular Processing
Molecular formula
C8H8O2
Molecular weight
136.15
Exact mass
136.0524
XLogP
1.03
TPSA
34.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
10
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
37.53
Supplementary Information
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