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122742-14-7

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Basic Information
CAS No.: 122742-14-7
Name: 1-Methyl-5-oxo-D-proline methyl ester
Article Data: 5
Molecular Structure:
Molecular Structure of 122742-14-7 (1-Methyl-5-oxo-D-proline methyl ester)
Formula: C7H11NO3
Molecular Weight: 157.169
Synonyms: methyl (2R)-1-methyl-5-oxopyrrolidine-2-carboxylate
Density: 1.173 g/cm3
Boiling Point: 263.7 °C at 760 mmHg
Flash Point: 113.3 °C
PSA: 46.61000
LogP: -0.28190
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Specification

This chemical is called 1-Methyl-5-oxo-D-proline methyl ester, and its systematic name is methyl (2R)-1-methyl-5-oxo-pyrrolidine-2-carboxylate. With the molecular formula of C7H11NO3, its molecular weight is 157.17. The CAS registry number of this chemical is 122742-14-7, and its product category is Pyrrole.

Other characteristics of the 1-Methyl-5-oxo-D-proline methyl ester can be summarised as followings: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 4; (3)#H bond donors: 0; (4)#Freely Rotating Bonds: 2; (5)Polar Surface Area: 46.61 Å2; (6)Index of Refraction: 1.476; (7)Molar Refractivity: 37.8 cm3; (8)Molar Volume: 133.8 cm3; (9)Polarizability: 14.98×10-24cm3; (10)Surface Tension: 39.5 dyne/cm; (11)Density: 1.173 g/cm3; (12)Flash Point: 113.3 °C; (13)Enthalpy of Vaporization: 50.15 kJ/mol; (14)Boiling Point: 263.7 °C at 760 mmHg; (15)Vapour Pressure: 0.0101 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: CN1C(CCC1=O)C(=O)OC
2.InChI: InChI=1/C7H11NO3/c1-8-5(7(10)11-2)3-4-6(8)9/h5H,3-4H2,1-2H3/t5-/m1/s1
3.InChIKey: ABAOXDQXQHQRFA-RXMQYKEDBY