Name: methyl ester
SMILES:
COC(=O)C1(O)c2ccccc2-c2ccccc21Molecular Processing
Molecular formula
C15H12O3
Molecular weight
240.26
Exact mass
240.0786
XLogP
2.08
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
18
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.133
Molar refractivity
66.89
Supplementary Information
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