| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 5th, 2006 | 11 | Yes |
Popular Name: 3-(hydroxymethyl)benzoic acid 3-(hydroxymethyl)benzoic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 28286-79-5 , 69026-14-8 , [28286-79-5]
| 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) | 1.16 | -1.78 | -53.88 | 1 | 3 | -1 | 60 | 151.141 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.34 | 6.36 | -91.03 | 7 | 7 | 2 | 113 | 442.926 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 111 - 113 | Enamine Building Blocks |
| MP | 111...113 | Enamine Building Blocks |
| MP | 113 - 115 | Enamine Building Blocks |
| Melting_Point | 133-135? | Alfa-Aesar |
| Melting_Point | 133-135° | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.