| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 7th, 2009 | 18 | Yes |
Popular Name: methyl (6-chloro-7-hydroxy-2-oxo-2H-chromen-4-yl)acetate methyl (6-chloro-7-hydroxy-2-oxo…
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CAS Numbers: , 72304-22-4
2H-1-benzopyran-4-acetic acid, 6-chloro-7-hydroxy-2-oxo-, methyl ester
Methyl (6-chloro-7-hydroxy-2-oxo-2H-chromen-4-yl)-acetate
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.35 | 5.01 | -16.25 | 1 | 5 | 0 | 77 | 268.652 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.35 | 5.79 | -44.23 | 0 | 5 | -1 | 80 | 267.644 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
