| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 1st, 2006 | 13 | Yes |
Popular Name: 4-Methylcyclohex-4-ene-1,2-dicarboxylic acid 4-Methylcyclohex-4-ene-1,2-dicar…
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CAS Numbers: 13468-88-7 , 40469-13-4 , [13468-88-7]
4-cyclohexene-1,2-dicarboxylic acid, 4-methyl-
4-Cyclohexene-1,2-dicarboxylic acid, 4-methyl-, trans- (9CI)
| 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) | 1.01 | 6.77 | -129.01 | 0 | 4 | -2 | 80 | 182.175 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.01 | 4.48 | -50.79 | 1 | 4 | -1 | 77 | 183.183 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.01 | 4.54 | -53.93 | 1 | 4 | -1 | 77 | 183.183 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 141 - 143 | MolMall (formerly Molecular Diversity Preservation International) |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Warnings | IRRITANT | Matrix Scientific |
