이름: compound ( 2d )
SMILES:
CC(C)(C)C(=O)OC[C@@H]1C=CC(=O)O1Molecular Processing
Molecular formula
C10H14O4
Molecular weight
198.22
Exact mass
198.0892
XLogP
1.06
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
14
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
49.43
Supplementary Information
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