In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 17th, 2005 | 21 | Yes |
Popular Name: 4-Oxo-3-p-tolyl-10-oxa-3-aza-tricyclo[5.2.1.0*1,5*]dec-8-ene-6-carboxylic acid 4-Oxo-3-p-tolyl-10-oxa-3-aza-tri…
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CAS Numbers: 14261-91-7 , [14261-91-7]
3-(4-methylphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-6-carboxylic acid
4-Oxo-3-p-tolyl-10-oxa-3-aza-tricyclo[5.2.1.0(1,5)]dec-8-ene-6-carboxylic acid
4-oxo-3-p-tolyl-10-oxa-3-aza-tricyclo[5.2.1.0*1,5*]dec-8-ene-6-carboxylicacid
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) | 1.93 | -0.66 | -56.44 | 0 | 5 | -1 | 69 | 284.291 | 2 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
MP | 183-184° | Matrix Scientific |
Warnings | IRRITANT | Matrix Scientific |