이름: 4-(2-t-butoxy-2-oxoethoxy)benzoic acid
SMILES:
CC(C)(C)OC(=O)COc1ccc(C(=O)O)cc1Molecular Processing
Molecular formula
C13H16O5
Molecular weight
252.27
Exact mass
252.0998
XLogP
2.11
TPSA
72.83
H-bond donors
1
H-bond acceptors
4
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
0.385
Molar refractivity
64.74
Supplementary Information
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