Name: 5-(2-benzyloxy-ethyl)-2-hydroxy-cyclohexanecarboxylic acid methyl ester
SMILES:
COC(=O)C1CC(CCOCc2ccccc2)CCC1OMolecular Processing
Molecular formula
C17H24O4
Molecular weight
292.38
Exact mass
292.1675
XLogP
2.54
TPSA
55.76
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
79.57
Supplementary Information
Details werden geladen…
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