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| CAS No.: | 77191-37-8 |
|---|---|
| Name: | 4-Hydroxy-2-oxo-1-pyrrolidineacetic acid |
| Molecular Structure: | |
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| Formula: | C6H9NO4 |
| Molecular Weight: | 159.142 |
| Synonyms: | 4-Hydroxy-2-oxo-1-pyrrolidineaceticacid; |
| Density: | 1.509 g/cm3 |
| Boiling Point: | 465.565 °C at 760 mmHg |
| Flash Point: | 235.365 °C |
| PSA: | 77.84000 |
| LogP: | -1.39790 |
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Specification
The IUPAC name of 4-Hydroxy-2-oxo-1-pyrrolidineacetic acid is 2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetic acid. With the CAS registry number 77191-37-8, it is also named as 1-Pyrrolidineaceticacid, 4-hydroxy-2-oxo-. The product's category is Oxiracetam. Its Molecular Formula is C6H9NO4 and its Molecular Weight is 159.14.
The other characteristics of this product can be summarized as: (1)ACD/LogP: -1.06 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): -4 ; (4) ACD/LogD (pH 7.4): -5 ; (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: 5 ; (10)H bond donors: 2 ; (11)Freely Rotating Bonds: 3 ; (12)Polar Surface Area: 77.84Å2; (13)Index of Refraction: 1.57 ; (14)Molar Refractivity: 34.626 cm3 ; (15)Molar Volume: 105.461 cm3 ; (16)Surface Tension: 74.029 dyne/cm ; (17)Density: 1.509 g/cm3 ; (18)Flash Point: 235.365 °C ; (19)Enthalpy of Vaporization: 83.853 kJ/mol ; (20)Boiling Point: 465.565 °C at 760 mmHg ; (21) Vapour Pressure: 0 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(O)CN1C(=O)CC(O)C1
(2)InChI:InChI=1/C6H9NO4/c8-4-1-5(9)7(2-4)3-6(10)11/h4,8H,1-3H2,(H,10,11)
(3)InChIKey:BMOXYLBGPIDAAN-UHFFFAOYAY
(4)Std. InChI:InChI=1S/C6H9NO4/c8-4-1-5(9)7(2-4)3-6(10)11/h4,8H,1-3H2,(H,10,11)
(5)Std. InChIKey:BMOXYLBGPIDAAN-UHFFFAOYSA-N