| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 11th, 2009 | 13 | Yes |
Popular Name: 2-methyl-1,3-benzoxazole-6-carboxylic acid 2-methyl-1,3-benzoxazole-6-carbo…
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CAS Numbers: 13452-14-7 , [13452-14-7]
2-methyl benzo[d]oxazole-6-carboxylic acid
2-Methyl-1,3-benzoxazole-6-carboxylicacid
2-Methylbenzoxazole-6-carboxylic acid
2-Methylbenzo[d]oxazole-6-carboxylic acid
6-Benzoxazolecarboxylic acid, 2-methyl-
| 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) | 1.84 | 1.79 | -48.04 | 0 | 4 | -1 | 66 | 176.151 | 1 | ↓ |
| Hi High (pH 8-9.5) | 3.30 | 8.44 | -42.52 | 2 | 5 | 1 | 55 | 344.479 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
