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17431-20-8

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Basic Information
CAS No.: 17431-20-8
Name: L-Proline, 1-nitroso-, ethyl ester (9CI)
Molecular Structure:
Molecular Structure of 17431-20-8 (L-Proline, 1-nitroso-, ethyl ester (9CI))
Formula: C7H12N2O3
Molecular Weight: 172.184
Synonyms: Ethyl 1-nitroso-L-proline;
Density: 1.3 g/cm3
Boiling Point: 292.3 °C at 760 mmHg
Flash Point: 130.6 °C
PSA: 58.97000
LogP: 0.63320
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    L-Proline, 1-nitroso-, ethyl ester (9CI);Ethyl 1-nitroso-L-proline

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Specification

The L-Proline, 1-nitroso-,ethyl ester (9CI), with the CAS registry number of 17431-20-8, is also known as Ethyl 1-nitroso-L-proline. It belongs to the product category of Pyrrole. Its molecular formula is C7H12N2O3 and molecular weight is 172.18178. What's more, its IUPAC name is Ethyl (2S)-1-nitrosopyrrolidine-2-carboxylate.

Physical properties about the L-Proline, 1-nitroso-,ethyl ester (9CI) are: (1)ACD/LogP: -0.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.09; (4)ACD/LogD (pH 7.4): -0.09; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 21.22; (8)ACD/KOC (pH 7.4): 21.22; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 58.97 Å2; (13)Index of Refraction: 1.55; (14)Molar Refractivity: 42.17 cm3; (15)Molar Volume: 132.3 cm3; (16)Surface Tension: 47 dyne/cm; (17)Density: 1.3 g/cm3; (18)Flash Point: 130.6 °C; (19)Enthalpy of Vaporization: 53.18 kJ/mol; (20)Boiling Point: 292.3 °C at 760 mmHg; (21)Vapour Pressure: 0.00184 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)[C@H]1N(N=O)CCC1
(2) InChI: InChI=1/C7H12N2O3/c1-2-12-7(10)6-4-3-5-9(6)8-11/h6H,2-5H2,1H3/t6-/m0/s1
(3) InChIKey: CPURSCKAPPWVBT-LURJTMIEBN