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| CAS No.: | 138499-08-8 |
|---|---|
| Name: | (3S)-TETRAHYDROFURANYLSUCCINIMIDYL-CARBONATE |
| Article Data: | 17 |
| Molecular Structure: | |
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| Formula: | C9H11NO6 |
| Molecular Weight: | 229.189 |
| Synonyms: | 2,5-Pyrrolidinedione,1-[[[(tetrahydro-3-furanyl)oxy]carbonyl]oxy]-, (S)-;2,5-Pyrrolidinedione,1-[[[[(3S)-tetrahydro-3-furanyl]oxy]carbonyl]oxy]- (9CI);Carbonic acid2,5-dioxopyrrolidin-1-yl (S)-tetrahydrofuran-3-yl ester; |
| Density: | 1.457 g/cm3 |
| Melting Point: | 114-117°C |
| Boiling Point: | 338.736 °C at 760 mmHg |
| Flash Point: | 158.662 °C |
| Appearance: | Off-white solid |
| PSA: | 82.14000 |
| LogP: | -0.06960 |
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- Total:23 Page 1 of 1 1
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Specification
The Carbonicacid, 2,5-dioxo-1-pyrrolidinyl (3S)-tetrahydro-3-furanyl ester is an organic compound with the formula C9H11NO6. The systematic name of this chemical is 1-({[(3S)-tetrahydrofuran-3-yloxy]carbonyl}oxy)pyrrolidine-2,5-dione. With the CAS registry number 138499-08-8, it is also named as Carbonic Acid 2,5-Dioxopyrrolidin-1-yl (S)-Tetrahydrofuran-3-yl Ester.
Physical properties about Carbonicacid, 2,5-dioxo-1-pyrrolidinyl (3S)-tetrahydro-3-furanyl ester are: (1)ACD/LogP: -1.58; (2)ACD/LogD (pH 5.5): -1.58; (3)ACD/LogD (pH 7.4): -1.58; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 3.29; (7)ACD/KOC (pH 7.4): 3.29; (8)#H bond acceptors: 7; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 82.14 Å2; (11)Index of Refraction: 1.536; (12)Molar Refractivity: 49.06 cm3; (13)Molar Volume: 157.3 cm3; (14)Polarizability: 19.45×10-24cm3; (15)Surface Tension: 56.9 dyne/cm; (16)Density: 1.45 g/cm3; (17)Flash Point: 158.7 °C; (18)Enthalpy of Vaporization: 58.21 kJ/mol; (19)Boiling Point: 338.7 °C at 760 mmHg; (20)Vapour Pressure: 9.63E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(ON1C(=O)CCC1=O)O[C@H]2CCOC2
2)InChI: InChI=1/C9H11NO6/c11-7-1-2-8(12)10(7)16-9(13)15-6-3-4-14-5-6/h6H,1-5H2/t6-/m0/s1
(3)InChIKey: SAWUNSFFYCOVPE-LURJTMIEBV
(4)Std. InChI: InChI=1S/C9H11NO6/c11-7-1-2-8(12)10(7)16-9(13)15-6-3-4-14-5-6/h6H,1-5H2/t6-/m0/s1
(5)Std. InChIKey: SAWUNSFFYCOVPE-LURJTMIESA-N