이름: m-(carboxymethoxy)phenyl acetone
SMILES:
CC(=O)Cc1cccc(OCC(=O)O)c1Molecular Processing
Molecular formula
C11H12O4
Molecular weight
208.21
Exact mass
208.0736
XLogP
1.28
TPSA
63.6
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
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
0.273
Molar refractivity
53.96
Supplementary Information
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