SMILES:
O=C(O)c1cccc2c1OCC2Molecular Processing
Molecular formula
C9H8O3
Molecular weight
164.16
Exact mass
164.0473
XLogP
1.32
TPSA
46.53
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
12
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
0.222
Molar refractivity
42.6
Supplementary Information
Details werden geladen…
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