名称: 3-ethoxycarbonyl-6-phenyl-4,5,6,7-tetrahydrobenzofuran-4-one
SMILES:
CCOC(=O)c1coc2c1C(=O)CC(c1ccccc1)C2Molecular Processing
Molecular formula
C17H16O4
Molecular weight
284.31
Exact mass
284.1049
XLogP
3.37
TPSA
56.51
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
76.5
Supplementary Information
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