SMILES:
O=C(O)Cc1ccc2c(c1)CCO2Molecular Processing
Molecular formula
C10H10O3
Molecular weight
178.19
Exact mass
178.063
XLogP
1.25
TPSA
46.53
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
46.98
Supplementary Information
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