| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 10th, 2010 | 13 | Yes |
Popular Name: 1-benzylcyclopropane-1-carboxylic acid 1-benzylcyclopropane-1-carboxyli…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 27356-91-8 , 6120-95-2
1-Benzylcyclopropanecarboxylic acid
1-Phenylcyclopropanecarboxylic acid
| 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) | 1.81 | 7.65 | -46 | 0 | 2 | -1 | 40 | 175.207 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 102 - 104 | Enamine Building Blocks |
| MP | 102...104 | Enamine Building Blocks |
| Melting_Point | 85-89? | Alfa-Aesar |
| Melting_Point | 85-89° | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.