이름: 2-acetyl-5-methoxybenzoic acid
SMILES:
COc1ccc(C(C)=O)c(C(=O)O)c1Molecular Processing
Molecular formula
C10H10O4
Molecular weight
194.19
Exact mass
194.0579
XLogP
1.6
TPSA
63.6
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
14
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
0.2
Molar refractivity
49.96
Supplementary Information
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