Nom: 1-hydroxy-6-(2-methoxyphenyl)-3-oxocyclohexane-1-carboxylic acid
SMILES:
COc1ccccc1C1CCC(=O)CC1(O)C(=O)OMolecular Processing
Molecular formula
C14H16O5
Molecular weight
264.28
Exact mass
264.0998
XLogP
1.35
TPSA
83.83
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
67.18
Supplementary Information
Récupération des détails…
Impliqué dans 4 réactions→