| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 12 | No |
Popular Name: 2,3,7,7a-Tetrahydro-7a-Methyl-1H-indene-1,5(6H)-dione 2,3,7,7a-Tetrahydro-7a-Methyl-1H…
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CAS Numbers: 17553-86-5 , 17553-89-8 , 19576-08-0 , [17553-86-5] , [17553-89-8] , [19576-08-0]
(7AR)-7A-METHYL-2,3,7,7A-TETRAHYDRO-1H-INDENE-1,5(6H)-DIONE
(7aR)-7a-Methyl-2,3,7,7a-tetrahydro-1H-indene-1,5(6H)-dione; Hajos-Parrish ketone, (R)-(–)-isomer
(7AS)-7a-Methyl-2,3,7,7a-tetrahydro-1H-indene-1,5(6H)-dione
(7aS)-7a-Methyl-2,3,7,7a-tetrahydro-1H-indene-1,5(6H)-dione; Hajos-Parrish ketone, (S)-(+)-isomer
(R)-(-)-2,3,7,7a-Tetrahydro-7a-Methyl-1H-indene-1,5(6H)-dione
(R)-7a-Methyl-2,3,7,7a-tetrahydro-1H-indene-1,5(6H)-dione
(R)-7a-methyl-2,3,7,7a-tetrahydro-6H-indene-1,5-dione
(S)-(+)-7a-Methyl-2,3,7,7a-tetrahydro-1H-indene-1,5(6H)-dione
7A-METHYL-2,3,7,7A-TETRAHYDRO-1H-INDENE-1,5 -DIONE
7a-methyl-2,3,5,6,7,7a-hexahydro-1H-indene-1,5-dione
| 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) | 0.53 | 5.02 | -7.47 | 0 | 2 | 0 | 34 | 164.204 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 59 | TCI |
| MP | 71 | TCI |
