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(2S)-2-(2-Oxopyrrolidin-1-yl)butanoic acid

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Name

(2S)-2-(2-Oxopyrrolidin-1-yl)butanoic acid

EINECS N/A
CAS No. 102849-49-0 Density 1.227 g/cm3
PSA 57.61000 LogP 0.40990
Solubility N/A Melting Point 118-121°C
Formula C8H13NO3 Boiling Point 370.975 °C at 760 mmHg
Molecular Weight 171.196 Flash Point 178.16 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 102849-49-0 ((2S)-2-(2-Oxopyrrolidin-1-yl)butanoic acid) Hazard Symbols N/A
Synonyms

UCB-L 057;1-Pyrrolidineaceticacid, a-ethyl-2-oxo-, (S)-;2-Pyrrolidinone-n-butyric acid;

Article Data 3

(2S)-2-(2-Oxopyrrolidin-1-yl)butanoic acid Chemical Properties

Systematic Name: (2S)-2-(2-Oxopyrrolidin-1-yl)butanoic acid
Synonyms of (2S)-2-(2-Oxopyrrolidin-1-yl)butanoic acid (CAS NO.102849-49-0): (S)-2-(2-Oxopyrrolidin-1-yl)butanoic acid
CAS NO: 102849-49-0
Molecular Formula: C8H13NO3
Molecular Weight: 171.20
Molecular Structure:
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 3
Polar Surface Area: 57.61 Å2
Index of Refraction: 1.517
Molar Refractivity: 42.206 cm3
Molar Volume: 139.519 cm3
Surface Tension: 50.798 dyne/cm
Density: 1.227 g/cm3
Flash Point: 178.16 °C
Enthalpy of Vaporization: 67.861 kJ/mol
Boiling Point: 370.975 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
SMILES: O=C1N([C@H](C(=O)O)CC)CCC1
InChI: InChI=1/C8H13NO3/c1-2-6(8(11)12)9-5-3-4-7(9)10/h6H,2-5H2,1H3,(H,11,12)/t6-/m0/s1
InChIKey: IODGAONBTQRGGG-LURJTMIEBF
Std. InChI: InChI=1S/C8H13NO3/c1-2-6(8(11)12)9-5-3-4-7(9)10/h6H,2-5H2,1H3,(H,11,12)/t6-/m0/s1
Std. InChIKey: IODGAONBTQRGGG-LURJTMIESA-N

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