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4347-18-6

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Basic Information
CAS No.: 4347-18-6
Name: 4-oxo-L-proline
Article Data: 2
Molecular Structure:
Molecular Structure of 4347-18-6 (4-oxo-L-proline)
Formula: C5H7NO3
Molecular Weight: 129.115
Synonyms: Proline,4-oxo-, L- (8CI);4-Oxo-L-proline;4-keto-L-Proline;
EINECS: 224-409-0
Density: 1.38 g/cm3
Boiling Point: 341.8 °C at 760 mmHg
Flash Point: 160.5 °C
PSA: 66.40000
LogP: -0.66920
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Specification

The L-Proline, 4-oxo-, with the CAS registry number 4347-18-6, is also known as 4-Oxo-L-proline. Its EINECS registry number is 224-409-0. This chemical's molecular formula is C5H7NO3 and molecular weight is 129.11398. What's more, its IUPAC name is (2S)-4-Oxopyrrolidine-2-carboxylic acid.

Physical properties about L-Proline, 4-oxo- are: (1)ACD/LogP: -1.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.97; (4)ACD/LogD (pH 7.4): -4.42; (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: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.511; (14)Molar Refractivity: 28.03 cm3; (15)Molar Volume: 93.4 cm3; (16)Polarizability: 11.11×10-24 cm3; (17)Surface Tension: 54.6 dyne/cm; (18)Density: 1.38 g/cm3; (19)Flash Point: 160.5 °C; (20)Enthalpy of Vaporization: 64.34 kJ/mol; (21)Boiling Point: 341.8 °C at 760 mmHg; (22)Vapour Pressure: 1.42E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)[C@H]1NCC(=O)C1
(2) InChI: InChI=1/C5H7NO3/c7-3-1-4(5(8)9)6-2-3/h4,6H,1-2H2,(H,8,9)/t4-/m0/s1
(3) InChIKey: HFXAFXVXPMUQCQ-BYPYZUCNBK