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15116-68-4

Basic Information
CAS No.: 15116-68-4
Name: 3-Hydroxypyrrolidin-2-one
Molecular Structure:
Molecular Structure of 15116-68-4 (3-Hydroxypyrrolidin-2-one)
Formula: C4H7NO2
Molecular Weight: 101.1039
Synonyms: 3-Hydroxy-2-pyrrolidinone,95%
Density: 1.292 g/cm3
Melting Point: 102-107°C
Boiling Point: 363.637 °C at 760 mmHg
Flash Point: 173.722 °C
Hazard Symbols: Xn
Risk Codes: 22-36
Safety: 26
PSA: 52.82000
LogP: -0.85690
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Specification

The 3-Hydroxypyrrolidin-2-one is an organic compound with the formula C4H7NO2. The systematic name of this chemical is 3-hydroxypyrrolidin-2-one. With the CAS registry number 15116-68-4, it is also named as 2-pyrrolidinone, 3-hydroxy-.

Physical properties about 3-Hydroxypyrrolidin-2-one are: (1)ACD/LogP: -1.08; (2)ACD/LogD (pH 5.5): -3; (3)ACD/LogD (pH 7.4): -3; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 49.33 Å2; (12)Index of Refraction: 1.513; (13)Molar Refractivity: 23.516 cm3; (14)Molar Volume: 78.234 cm3; (15)Polarizability: 9.322×10-24cm3; (16)Surface Tension: 50.88 dyne/cm; (17)Density: 1.292 g/cm3; (18)Flash Point: 173.722 °C; (19)Enthalpy of Vaporization: 70.57 kJ/mol; (20)Boiling Point: 363.637 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1NCCC1O
(2)InChI: InChI=1/C4H7NO2/c6-3-1-2-5-4(3)7/h3,6H,1-2H2,(H,5,7)
(3)InChIKey: FRKGSNOMLIYPSH-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C4H7NO2/c6-3-1-2-5-4(3)7/h3,6H,1-2H2,(H,5,7)
(5)Std. InChIKey: FRKGSNOMLIYPSH-UHFFFAOYSA-N