이름: 5-Ethoxycarbonylfuran-2-ylacetic acid tert-butyl ester
SMILES:
CCOC(=O)c1ccc(CC(=O)OC(C)(C)C)o1Molecular Processing
Molecular formula
C13H18O5
Molecular weight
254.28
Exact mass
254.1154
XLogP
2.34
TPSA
65.74
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
64.21
Supplementary Information
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