C#CCOC(=O)Oc1ccc2ccc(OC(=O)OCC#C)cc2c1
SMILES: C#CCOC(=O)Oc1ccc2ccc(OC(=O)OCC#C)cc2c1

Molecular Processing

Molecular formula
C18H12O6
Molecular weight
324.29
Exact mass
324.0634
XLogP
3.14
TPSA
71.06
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
85.57

Supplementary Information

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