3-(3,4-dimethoxyanilino)-4-hydroxycyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(3,4-dimethoxyanilino)-4-hydroxycyclobut-3-ene-1,2-dione
3-(3,4-dimethoxyanilino)-4-hydroxycyclobut-3-ene-1,2-dione
Compound characteristics
Compound ID: | G317-0408 |
Compound Name: | 3-(3,4-dimethoxyanilino)-4-hydroxycyclobut-3-ene-1,2-dione |
Molecular Weight: | 249.22 |
Molecular Formula: | C12 H11 N O5 |
Smiles: | COc1ccc(cc1OC)NC1=C(C(C1=O)=O)O |
Stereo: | ACHIRAL |
logP: | 0.4695 |
logD: | -4.3532 |
logSw: | -1.988 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 66.498 |
InChI Key: | HIMQTKJGSQAFMW-UHFFFAOYSA-N |