이름: 4-cyano-2-methylphenyl acetate
SMILES:
CC(=O)Oc1ccc(C#N)cc1CMolecular Processing
Molecular formula
C10H9NO2
Molecular weight
175.19
Exact mass
175.0633
XLogP
1.79
TPSA
50.09
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
47.2
Supplementary Information
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