O=C1C=CC=CC1=O
Name: 1,2-benzoquinone
SMILES: O=C1C=CC=CC1=O

Molecular Processing

Molecular formula
C6H4O2
Molecular weight
108.1
Exact mass
108.0211
XLogP
0.25
TPSA
34.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
8
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
Molar refractivity
28.29

Supplementary Information

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