Nombre: 1-carboxy-3,5,7-adamantanetriol
SMILES:
O=C(O)C12CC3(O)CC(O)(CC(O)(C3)C1)C2Molecular Processing
Molecular formula
C11H16O5
Molecular weight
228.24
Exact mass
228.0998
XLogP
-0.37
TPSA
97.99
H-bond donors
4
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
16
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.909
Molar refractivity
52.62
Supplementary Information
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