SMILES:
COC(=O)c1cc(OC)c(OC)c2c1C=CCO2Molecular Processing
Molecular formula
C13H14O5
Molecular weight
250.25
Exact mass
250.0841
XLogP
1.9
TPSA
53.99
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
65.41
Supplementary Information
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