| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2005 | 14 | No |
Popular Name: 2-(4-Nitrophenyl)malondialdehyde 2-(4-Nitrophenyl)malondialdehyde
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CAS Numbers: 18915-53-2 , 65347-55-9 , 676605-99-5
(2Z)-3-Hydroxy-2-(4-nitrophenyl)acrylaldehyde
2-(4-Nitrophenyl)malonaldehyde
| 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) | 0.97 | 5.25 | -29.47 | 0 | 5 | -1 | 86 | 192.15 | 3 | ↓ |
| Ref Reference (pH 7) | 0.97 | 5.27 | -29.15 | 0 | 5 | -1 | 86 | 192.15 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.98 | 4.32 | -14.4 | 0 | 5 | 0 | 80 | 193.158 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 231-233° (dec.) | Fluorochem |
| MP | 231-233°(dec) | Matrix Scientific |
| Purity | 95%+ | Fluorochem |
| Warnings | Irritant | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.