| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 7th, 2005 | 12 | Yes |
Popular Name: 4-Hydroxyphenoxyacetic acid 4-Hydroxyphenoxyacetic acid
Find On: PubMed — Wikipedia — Google
CAS Number: 1878-84-8
(4-Hydroxy-phenoxy)-acetic acid
(4-Hydroxyphenoxy)acetic acid, 98%
2-(4-hydroxyphenoxy)acetic acid
4-Hydroxyphenoxyacetic acid, 98+%
| 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) | 0.76 | 1.55 | -46.9 | 1 | 4 | -1 | 70 | 167.14 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 152 - 156 | Acros Organics |
| MP | 153 - 155 | Enamine Building Blocks |
| Melting_Point | 153-158? | Alfa-Aesar |
| Melting_Point | 153-158° | Alfa-Aesar |
| MP | 153...155 | Enamine Building Blocks |
| MP | 154 - 157 | Enamine Building Blocks |
| MP | 155 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| H phrase | H335: May cause respiratory irritation | Acros Organics |
| H phrase | H335: May cause respiratory irritation; H302: Harmful if swallowed; H315: Causes skin irritation; H319: Causes serious eye irritation | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HPPD-2-E | 4-hydroxyphenylpyruvate Dioxygenase (cluster #2 Of 3), Eukaryotic | Eukaryotes | 6000 | 0.61 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HPPD_PIG | Q02110 | 4-hydroxyphenylpyruvate Dioxygenase, Pig | 6000 | 0.61 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.