이름: 2-acetylbenzoic acid
SMILES:
CC(=O)c1ccccc1C(=O)OMolecular Processing
Molecular formula
C9H8O3
Molecular weight
164.16
Exact mass
164.0473
XLogP
1.59
TPSA
54.37
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
43.41
Supplementary Information
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