الاسم: mono-2-ethyl-2-(hydroxymethyl)butyl bicyclo-[2.2.1]hept-5-ene-2,3-dicarboxylate
SMILES:
CCC(CC)(CO)COC(=O)C1C2C=CC(C2)C1C(=O)[O-]Molecular Processing
Molecular formula
C16H23O5-
Molecular weight
295.36
Exact mass
295.1551
XLogP
0.52
TPSA
86.66
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
21
Rings
2
Aromatic rings
0
Saturated rings
1
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
-1
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
73.78
Supplementary Information
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