CC(=O)Oc1ccc(C(=O)N=C=O)cc1OC(C)=O
Nom: 3,4-diacetoxybenzoylisocyanate
SMILES: CC(=O)Oc1ccc(C(=O)N=C=O)cc1OC(C)=O

Molecular Processing

Molecular formula
C12H9NO6
Molecular weight
263.2
Exact mass
263.043
XLogP
1.01
TPSA
99.1
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
61.51

Supplementary Information

Récupération des détails…

Impliqué dans 3 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→