SMILES:
O=C(O)CC(CC(=O)O)c1ccc2oc3c(c2c1)CCCC3Molecular Processing
Molecular formula
C17H18O5
Molecular weight
302.33
Exact mass
302.1154
XLogP
3.34
TPSA
87.74
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.412
Molar refractivity
80.1
Supplementary Information
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