Name: isophthalic acid mono-benzyl ester
SMILES:
O=C(O)c1cccc(C(=O)OCc2ccccc2)c1Molecular Processing
Molecular formula
C15H12O4
Molecular weight
256.26
Exact mass
256.0736
XLogP
2.74
TPSA
63.6
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.067
Molar refractivity
68.96
Supplementary Information
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