الاسم: carboxylic acid
SMILES:
CO/C=C(/C(=O)OC)c1ccccc1Oc1cccc(C(=O)O)c1Molecular Processing
Molecular formula
C18H16O6
Molecular weight
328.32
Exact mass
328.0947
XLogP
3.34
TPSA
82.06
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
86.92
Supplementary Information
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