| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 12 | Yes |
Popular Name: 3-Methoxyphenylacetic acid 3-Methoxyphenylacetic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1798-09-0 , [1798-09-0]
"3-Methoxyphenylacetic acid, 99%"
(3-Methoxy-phenyl)-acetic acid;2-(3-methoxyphenyl)acetic acid
2-(3-methoxyphenyl)acetic acid
3-Methoxyphenylacetic acid 98%
3-Methoxyphenylacetic acid, 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) | 1.40 | 4.22 | -49 | 0 | 3 | -1 | 49 | 165.168 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 306 | TCI |
| MP | 65 - 69 | Enamine Building Blocks |
| MP | 65...69 | Enamine Building Blocks |
| Melting_Point | 67-72? | Alfa-Aesar |
| Melting_Point | 67-72° | Alfa-Aesar |
| MP | 69 | TCI |
| MP | 71 - 73 | Enamine Building Blocks |
| MP | 71-73° | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 98% | Matrix Scientific |
| H phrase | H335: May cause respiratory irritation | Acros Organics |
| H phrase | H335: May cause respiratory irritation; H315: Causes skin irritation; H302: Harmful if swallowed; H319: Causes serious eye irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| Warnings | Irritant/Refrigerate | 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; 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 |
No pre-computed analogs available. Try a structural similarity search.