CCC(=O)c1cc(OC(C)C)c(OC)cc1I
名称: ether
SMILES: CCC(=O)c1cc(OC(C)C)c(OC)cc1I

Molecular Processing

Molecular formula
C13H17IO3
Molecular weight
348.18
Exact mass
348.0222
XLogP
3.68
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
76.1

Supplementary Information

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