| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 25th, 2009 | 14 | No |
Popular Name: 4-HYDROXY-3-NITROPHENYLACETIC ACID 4-HYDROXY-3-NITROPHENYLACETIC ACID
Find On: PubMed — Wikipedia — Google
CAS Numbers: 10463-20-4 , [10463-20-4]
(3-nitro-4-oxidophenyl)acetate
(4-hydroxy-3-nitrophenyl)acetate
(4-hydroxy-3-nitrophenyl)acetic acid
2-(4-hydroxy-3-nitrophenyl)acetic acid
3-NITRO-4-HYDROXYPHENYLACETIC ACID
4-hydroxy-3-nitrophenylacetate
4-Hydroxy-3-nitrophenylacetic acid, 99%
4-HYDROXY-3-NITROPHENYLACETICACID
| 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) | 1.03 | 4.59 | -45.68 | 1 | 6 | -1 | 106 | 196.138 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.75 | 8.32 | -7.74 | 0 | 2 | 0 | 22 | 219.259 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.86e+00 g/l | DrugBank-experimental |
| melting_point | 144 - 146 | KeyOrganics |
| Melting_Point | 146-148? | Alfa-Aesar |
| MP | 146-148° | Matrix Scientific |
| Purity | 98% | Matrix Scientific |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
