SMILES:
C=C.O=C1C=CC(=O)O1Molecular Processing
Molecular formula
C6H6O3
Molecular weight
126.11
Exact mass
126.0317
XLogP
0.43
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
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
3
Covalent units
2
Fraction Csp3
0
Molar refractivity
31.49
Supplementary Information
Récupération des détails…
Impliqué dans 2 réactions→