이름: methyl 3,4-dihydroxy-5-methoxybenzoate
SMILES:
COC(=O)c1cc(O)c(O)c(OC)c1Molecular Processing
Molecular formula
C9H10O5
Molecular weight
198.17
Exact mass
198.0528
XLogP
0.89
TPSA
75.99
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
47.66
Supplementary Information
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