| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 14 | Yes |
Popular Name: 4-HYDROXY-7-METHOXYCOUMARIN 4-HYDROXY-7-METHOXYCOUMARIN
Find On: PubMed — Wikipedia — Google
CAS Number: 17575-15-4
2H-1-benzopyran-2-one, 4-hydroxy-7-methoxy-
4-hydroxy-7-methoxy-2H-chromen-2-one
4-Hydroxy-7-Methoxycoumarin [17575-15-4]
4-Hydroxy-7-methoxycoumarin, 95%
| 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) | 1.75 | 3.32 | -43.03 | 0 | 4 | -1 | 63 | 191.162 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.75 | 2.33 | -10.63 | 1 | 4 | 0 | 60 | 192.17 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.75 | 2.57 | -12.54 | 1 | 4 | 0 | 60 | 192.17 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 262.5-264.5o C | Indofine |
| Mp [°C] | 263 - 265 | Acros Organics |
| M.P | 263-265 C (d) | Indofine |
| H phrase | H335: May cause respiratory irritation | Acros Organics |
| H phrase | H335: May cause respiratory irritation; H319: Causes serious eye irritation; H315: Causes skin 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 |
| SOLUBILITY | Soluble in Chloroform | Indofine |
| APPEARANCE | White fluffy powder | Indofine |
| Hazard | XI: Irritant | Acros Organics |
