Predicted properties of the compound entered.
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Other Names and Identifiers |
| Standard InChI (User Input) | InChI=1S/C24H20BrN3O5/c1-12(29)33-15-7-5-14(6-8-15)28-21(30)19-18-3-2-10-27(18)24(20(19)22(28)31)16-11-13(25)4-9-17(16)26-23(24)32/h4-9,11,18-20H,2-3,10H2,1H3,(H,26,32)/t18-,19+,20-,24+/m0/s1 |
| Standard InChIKey (User Input) | InChIKey=ACKCYGFTOUKEJR-CMCWBKRRSA-N |
| Non-Standard InChI | |
| Non-Standard InChIKey | |
| Other Names and Identifiers | [4-[(3S,3'aR,8'aS,8'bS)-5-bromo-1',2,3'-trioxospiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-f]pyrrolizine]-2'-yl]phenyl] acetate | [4-[(3aR,4S,8aS,8bS)-5'-bromo-1,2',3-trioxo-spiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-f]pyrrolizine-4,3'-indoline]-2-yl]phenyl] acetate | acetic acid [4-[(3aR,4S,8aS,8bS)-5'-bromo-1,2',3-trioxo-2-spiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-f]pyrrolizine-4,3'-indoline]yl]phenyl] ester | acetic acid [4-[(3aR,4S,8aS,8bS)-5'-bromo-1,2',3-triketo-spiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-f]pyrrolizine-4,3'-indoline]-2-yl]phenyl] ester | [4-[(3S,3'aR,8'aS,8'bS)-5-bromo-1',2,3'-trioxo-spiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-f]pyrrolizine]-2'-yl]phenyl] ethanoate | STOCK1N-42936 |
| Property | Value | Unit | Accuracy |
| Absolute Entropy of Ideal Gas at 298.15K and 1bar | - | - | - |
| Acentric Factor | - | - | - |
| Critical Compressibility Factor | - | - | - |
| Critical Pressure | - | - | - |
| Critical Temperature | - | - | - |
| Critical Volume | - | - | - |
| Enthalpy of Formation for Ideal Gas at 298.15K | - | - | - |
| Liquid Molar Volume at 298.15K | - | - | - |
| Molecular Weight | - | - | - |
| Net Standard State Enthalpy of Combustion at 298.15K | - | - | - |
| Normal Boiling Point | - | - | - |
| Melting Point | - | - | - |
| Refractive Index | - | - | - |
| Solubility Parameter at 298.15K | - | - | - |
| Standard State Absolute Entropy at 298.15K and 1bar | - | - | - |
| Standard State Enthalpy of Formation at 298.15K and 1bar | - | - | - |
| Magnetic Susceptibility | - | - | - |
| Polarizability | - | - | - |
| Flash Point | - | - | - |
| Parachor | - | - | - |
| Lower Flammability Limit Temperature | - | - | - |
| Lower Flammability Limit Volume Percent | - | - | - |
| Upper Flammability Limit Temperature | - | - | - |
| Upper Flammability Limit Volume Percent | - | - | - |
| Liquid Density at Normal Boiling Point | - | - | - |
| Heat of Vaporization at 298.15K | - | - | - |
| Heat of Vaporization at Normal Boiling Point | - | - | - |
| Water Solubility | - | - | - |