COc1ccc(C(=O)CO)cc1
名称: 2-hydroxy-4′-methoxyacetophenone
SMILES: COc1ccc(C(=O)CO)cc1

Molecular Processing

Molecular formula
C9H10O3
Molecular weight
166.18
Exact mass
166.063
XLogP
0.87
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
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
0.222
Molar refractivity
44.41

Supplementary Information

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