SMILES:
O=C(OC1CC=CCC1C(=O)O)c1ccccc1Molecular Processing
Molecular formula
C14H14O4
Molecular weight
246.26
Exact mass
246.0892
XLogP
2.26
TPSA
63.6
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
65.15
Supplementary Information
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