名称: product
SMILES:
COC(=O)C1=C(OC)CCC1COMolecular Processing
Molecular formula
C9H14O4
Molecular weight
186.21
Exact mass
186.0892
XLogP
0.46
TPSA
55.76
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
13
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
45.86
Supplementary Information
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