Name: dimethyl 3-methoxyisophthalic acid
SMILES:
COC1(C(=O)O)C(C)=CC=C(C(=O)O)C1CMolecular Processing
Molecular formula
C11H14O5
Molecular weight
226.23
Exact mass
226.0841
XLogP
1.06
TPSA
83.83
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
16
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
56.02
Supplementary Information
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