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76391-12-3

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Basic Information
CAS No.: 76391-12-3
Name: 1-(1,2-DIOXOPROPYL)-S-PROLINE
Article Data: 5
Molecular Structure:
Molecular Structure of 76391-12-3 (1-(1,2-DIOXOPROPYL)-S-PROLINE)
Formula: C8H11NO4
Molecular Weight: 185.18
Synonyms: 2-Ketopropionyl-L-proline;N-Pyruvoyl-L-proline;N-Pyruvyl-L-proline;Pyruvoyl-L-proline;
Density: 1.353 g/cm3
Boiling Point: 360.296 °C at 760 mmHg
Flash Point: 171.701 °C
PSA: 74.68000
LogP: -0.41110
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Specification

The L-Proline,1-(1,2-dioxopropyl)- is an organic compound with the formula C8H11NO4. The systematic name of this chemical is 1-(2-oxopropanoyl)-L-proline. With the CAS registry number 76391-12-3, it is also named as 1-Pyruvoyl-L-proline.

Physical properties about L-Proline,1-(1,2-dioxopropyl)- are: (1)ACD/LogP: -0.04; (2)ACD/LogD (pH 5.5): -4; (3)ACD/LogD (pH 7.4): -6; (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: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 74.68 Å2; (12)Index of Refraction: 1.525; (13)Molar Refractivity: 41.988 cm3; (14)Molar Volume: 136.904 cm3; (15)Polarizability: 16.646×10-24cm3; (16)Surface Tension: 57.896 dyne/cm; (17)Density: 1.353 g/cm3; (18)Flash Point: 171.701 °C; (19)Enthalpy of Vaporization: 66.566 kJ/mol; (20)Boiling Point: 360.296 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@H]1N(C(=O)C(=O)C)CCC1
(2)InChI: InChI=1/C8H11NO4/c1-5(10)7(11)9-4-2-3-6(9)8(12)13/h6H,2-4H2,1H3,(H,12,13)/t6-/m0/s1
(3)InChIKey: ZITOPJKFJBLAMM-LURJTMIEBU
(4)Std. InChI: InChI=1S/C8H11NO4/c1-5(10)7(11)9-4-2-3-6(9)8(12)13/h6H,2-4H2,1H3,(H,12,13)/t6-/m0/s1
(5)Std. InChIKey: ZITOPJKFJBLAMM-LURJTMIESA-N