- Name
- etodolac
- InChI
- InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20)
- InChI Key
- NNYBQONXHNTVIJ-UHFFFAOYSA-N
- Formula
- C17H21NO3
- SMILES
-
CCc1cccc2c3c([nH]c12)C(CC)(CC(
=O)O)OCC3 - Mol. Weight (g/mol)
- 287.36
- Name
- cyclohexapentylose
- InChI
- InChI=1S/C36H60O30/c37-1-7-25-13(43)19(49)31(55-7)62-26-8(2-38)57-33(21(51)15(26)45)64-28-10(4-40)59-35(23(53)17(28)47)66-30-12(6-42)60-36(24(54)18(30)48)65-29-11(5-41)58-34(22(52)16(29)46)63-27-9(3-39)56-32(61-25)20(50)14(27)44/h7-54H,1-6H2/t7?,8?,9?,10?,11?,12?,13?,14?,15?,16?,17?,18?,19?,20?,21?,22?,23?,24?,25-,26-,27-,28-,29-,30?,31-,32?,33-,34-,35-,36-/m0/s1
- InChI Key
- HFHDHCJBZVLPGP-OQDZSFIYSA-N
- Formula
- C36H60O30
- SMILES
-
OCC1OC2OC3C(CO)OC(OC4C(CO)OC(O
C5C(CO)OC(OC6C(CO)OC(OC7C(CO)O C(OC1C(O)C2O)C(O)C7O)C(O)C6O)C (O)C5O)C(O)C4O)C(O)C3O - Mol. Weight (g/mol)
- 972.84
- CAS
- 10016-20-3
- Name
- Water
- InChI
- InChI=1S/H2O/h1H2
- InChI Key
- XLYOFNOQVPJJNP-UHFFFAOYSA-N
- Formula
- H2O
- SMILES
- O
- Mol. Weight (g/mol)
- 18.02
- CAS
- 7732-18-5
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Datasets
Mole fraction of etodolac (1) [ref]
Operational conditions:
- Pressure, kPa = 101 (Liquid)
- Temperature, K = 298.15 (Liquid)
| Solvent: Mole fraction of cyclohexapentylose (2) - Liquid | Mole fraction of etodolac (1) - Liquid |
|---|---|
| 0.0000 | 6.5000e-06 |
| 0.0010 | 9.3000e-06 |
| 0.0020 | 0.0000 |
| 0.0030 | 0.0000 |
| 0.0040 | 0.0000 |
| 0.0050 | 0.0000 |
| 0.0060 | 0.0000 |
| 0.0071 | 0.0000 |
| 0.0080 | 0.0000 |
| 0.0090 | 0.0000 |
| 0.0099 | 0.0000 |