Название: 2-methyl-1,4-benzoquinone
SMILES:
CC1=CC(=O)C=CC1=OMolecular Processing
Molecular formula
C7H6O2
Molecular weight
122.12
Exact mass
122.0368
XLogP
0.64
TPSA
34.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
9
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
0.143
Molar refractivity
32.91
Supplementary Information
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