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Name |
2,5-Pyrrolidinedione,1-(carboxyoxy)- |
EINECS | N/A |
CAS No. | 135680-78-3 | Density | 1.67 g/cm3 |
PSA | 83.91000 | LogP | -0.31710 |
Solubility | N/A | Melting Point |
N/A |
Formula | C5H5NO5 | Boiling Point | 311.4 °C at 760 mmHg |
Molecular Weight | 159.097 | Flash Point | 142.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Succinimidyl carbonate;(2,5-Dioxopyrrolidin-1-yl) hydrogen carbonate;1-(Carboxyoxy)-2,5-pyrrolidinedione; |
Article Data | 3 |
The 2,5-Pyrrolidinedione,1-(carboxyoxy)-, with the CAS registry number 135680-78-3, is also known as Succinimidyl carbonate. This chemical's molecular formula is C5H5NO5 and molecular weight is 159.097. What's more, its systematic name is (2,5-dioxopyrrolidin-1-yl) hydrogen carbonate.
Physical properties of 2,5-Pyrrolidinedione,1-(carboxyoxy)- are: (1)ACD/LogP: -1.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.4; (4)ACD/LogD (pH 7.4): -5.68; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 72.91 Å2; (13)Index of Refraction: 1.559; (14)Molar Refractivity: 30.65 cm3; (15)Molar Volume: 94.8 cm3; (16)Polarizability: 12.15×10-24cm3; (17)Surface Tension: 75.6 dyne/cm; (18)Density: 1.67 g/cm3; (19)Flash Point: 142.1 °C; (20)Enthalpy of Vaporization: 60.74 kJ/mol; (21)Boiling Point: 311.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000124 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CC(=O)N(C1=O)OC(=O)O
(2)InChI: InChI=1S/C5H5NO5/c7-3-1-2-4(8)6(3)11-5(9)10/h1-2H2,(H,9,10)
(3)InChIKey: ZJIFDEVVTPEXDL-UHFFFAOYSA-N