이름: compound
SMILES:
CCOC(=O)c1oc2ccc(C(C)=O)c(O)c2c1CMolecular Processing
Molecular formula
C14H14O5
Molecular weight
262.26
Exact mass
262.0841
XLogP
2.83
TPSA
76.74
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
68.58
Supplementary Information
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