Name: compound ( 2f )
SMILES:
O=C1C=C[C@@H](COC2CCCCO2)O1Molecular Processing
Molecular formula
C10H14O4
Molecular weight
198.22
Exact mass
198.0892
XLogP
1.01
TPSA
44.76
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
14
Rings
2
Aromatic rings
0
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.7
Molar refractivity
48.56
Supplementary Information
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