In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 7th, 2004 | 11 | No |
Popular Name: Campholenaldehyde Campholenaldehyde
Find On: PubMed — Wikipedia — Google
CAS Numbers: 4501-58-0 , 91819-58-8 , 97-69-8 , [4501-58-0] , [91819-58-8]
(2,2,3-Trimethyl-cyclopent-3-enyl)-acetaldehyde
2-(2,2,3-trimethyl-1-cyclopent-3-enyl)acetaldehyde
2-(2,2,3-trimethylcyclopent-3-en-1-yl)acetaldehyde
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) | 3.13 | 2.69 | -4.34 | 0 | 1 | 0 | 17 | 152.237 | 2 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
BP | 173° | Matrix Scientific |
PUBCHEM_PATENT_ID | EP0155591A2; US4610813 | IBM Patent Data |
Patent Database Links | EP1172142 | ChEBI |
Warnings | IRRITANT | Matrix Scientific |