الاسم: 3,5-Diacetylphenyl isocyanate
SMILES:
CC(=O)c1cc(N=C=O)cc(C(C)=O)c1Molecular Processing
Molecular formula
C11H9NO3
Molecular weight
203.2
Exact mass
203.0582
XLogP
2.06
TPSA
63.57
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
54.23
Supplementary Information
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