Name: keto-ester
SMILES:
CCOc1ccc(C(C(=O)[O-])C(=O)C(=O)O)c(CC)c1CCMolecular Processing
Molecular formula
C16H19O6-
Molecular weight
307.32
Exact mass
307.1187
XLogP
0.7
TPSA
103.73
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
22
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
-1
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
76.76
Supplementary Information
Details werden geladen…
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