| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 11 | Yes |
Popular Name: 6-Hydroxy-2H-benzofuran-3-one 6-Hydroxy-2H-benzofuran-3-one
Find On: PubMed — Wikipedia — Google
CAS Numbers: 572916-04-2 , 6272-26-0 , [6272-26-0]
6-hydroxy-1-benzofuran-3(2H)-one
6-Hydroxy-2,3-dihydro-1-benzofuran-3-one
6-hydroxy-2,3-dihydrobenzo[b]furan-3-one
6-Hydroxy-2,3-dihydrobenzo[b]furan-3-one, 97%
6-Hydroxy-2H-benzofuran-3-one, 97%
| 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) | 0.83 | 0.67 | -7.16 | 1 | 3 | 0 | 47 | 150.133 | 0 | ↓ |
| Hi High (pH 8-9.5) | 0.83 | 1.44 | -39.3 | 0 | 3 | -1 | 49 | 149.125 | 0 | ↓ |
| Mid Mid (pH 6-8) | 1.47 | -0.2 | -46.85 | 1 | 3 | -1 | 56 | 149.125 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 231 | Acros Organics |
| MP | 235 - 240 | Enamine Building Blocks |
| MP | 235...240 | Enamine Building Blocks |
| Melting_Point | 240-242? | Alfa-Aesar |
| Melting_Point | 240-242° | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Fluorochem |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H315: Causes skin irritation; H335: May cause respiratory 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; 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 |
