Название: 2-methoxy-6-methylbenzoic acid
SMILES:
COc1cccc(C)c1C(=O)OMolecular Processing
Molecular formula
C9H10O3
Molecular weight
166.18
Exact mass
166.063
XLogP
1.7
TPSA
46.53
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
0.222
Molar refractivity
44.69
Supplementary Information
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