| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 12th, 2006 | 12 | Yes |
Popular Name: 3-(4-Hydroxyphenyl)propionic acid 3-(4-Hydroxyphenyl)propionic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 501-97-3 , N/A , [501-97-3]
"3-(4-Hydroxyphenyl)propionic acid, 99%"
3-(4'-HYDROXY-PHENYL)-PROPIONIC ACID
3-(4-Hydroxyphenyl)propanoic acid
3-(4-Hydroxyphenyl)propanoic acid 98%
3-(4-Hydroxyphenyl)Propionic Acid [501-97-3]; (Phloretic acid)
3-(4-Hydroxyphenyl)propionic acid, 98%
3-(4-Hydroxyphenyl)propionic acid, 99%
3-(4-Hydroxyphenyl)propionic acid; 501-97-3; C01744; Phloretate; Phloretic acid
3-(4-hydroxyphenyl)propionic acid; Dihydrocoumaric acid; bmse010064
3-(4-HYDROXYPHENYL)PROPIONIC ACID; [501-97-3]
3-(4-Hydroxyphenyl)PropionicAcid
| 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) | 1.40 | 2.87 | -46.42 | 1 | 3 | -1 | 60 | 165.168 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 125-128° | Oakwood Chemical |
| Mp [°C] | 126 - 130 | Acros Organics |
| Melting_Point | 126-131? | Alfa-Aesar |
| Melting_Point | 126-131° | Alfa-Aesar |
| mp | 128 - 131 | MolMall (formerly Molecular Diversity Preservation International) |
| MP | 128-131o C | Indofine |
| MP | 129 - 131 | Enamine Building Blocks |
| MP | 129-131 °C(lit.) | Indofine |
| MP | 129...131 | Enamine Building Blocks |
| MP | 130 | TCI |
| MP | 130 - 131 °C | Fluorochem |
| MP | 130-131° | Oakwood Chemical |
| ALOGPS_SOLUBILITY | 2.71e+00 g/l | DrugBank-experimental |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95+% | Matrix Scientific |
| Purity | 97% | APIChem |
| Purity | >98% | Fluorochem |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water | Acros Organics |
| R phrase | 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 | XI: Irritant | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.