COC1=CC2=C(C=C1)C(=C(C=C2)OC)C(=O)O
Name: 2,6-dimethoxynaphthalene-1-carboxylic acid
SMILES: COC1=CC2=C(C=C1)C(=C(C=C2)OC)C(=O)O

Molecular Processing

Molecular formula
C13H12O4
Molecular weight
232.23
Exact mass
232.0736
XLogP
2.56
TPSA
55.76
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
64.01

Supplementary Information

InChIKey: KTKIVXNVAVXDOW-UHFFFAOYSA-N
Synonyme
SCHEMBL10388487KTKIVXNVAVXDOW-UHFFFAOYSA-N2,6-dimethoxy-1-naphthalenecarboxylic acid
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