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CAS No.: | 65060-18-6 |
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Name: | (S)-4-OXO-PIPERIDINE-2-CARBOXYLIC ACID |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C6H9NO3 |
Molecular Weight: | 143.142 |
Synonyms: | 2-Piperidinecarboxylicacid, 4-oxo-, (S)-;L-Pipecolic acid, 4-oxo- (6CI);(S)-4-Oxo-2-piperidine carboxylic acid;(2S)-4-Oxopiperidine-2-carboxylic acid; |
Density: | 1.287 g/cm3 |
Boiling Point: | 341.36 °C at 760 mmHg |
Flash Point: | 160.249 °C |
PSA: | 66.40000 |
LogP: | -0.27910 |
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The 2-Piperidinecarboxylicacid, 4-oxo-, (2S)-, with the CAS registry number 65060-18-6, is also known as (S)-4-Oxo-2-piperidine carboxylic acid. This chemical's molecular formula is C6H9NO3 and molecular weight is 143.14. What's more, its systematic name is (2S)-4-Oxopiperidine-2-carboxylic acid.
Physical properties of 2-Piperidinecarboxylicacid, 4-oxo-, (2S)- are: (1)ACD/LogP: -0.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4; (4)ACD/LogD (pH 7.4): -4; (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: 66.4 Å2; (13)Index of Refraction: 1.499; (14)Molar Refractivity: 32.645 cm3; (15)Molar Volume: 111.234 cm3; (16)Polarizability: 12.941×10-24 cm3; (17)Surface Tension: 48.976 dyne/cm; (18)Density: 1.287 g/cm3; (19)Flash Point: 160.249 °C; (20)Enthalpy of Vaporization: 64.289 kJ/mol; (21)Boiling Point: 341.36 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: C1CNC(CC1=O)C(=O)O
(2)InChI: InChI=1S/C6H9NO3/c8-4-1-2-7-5(3-4)6(9)10/h5,7H,1-3H2,(H,9,10)/t5-/m0/s1
(3)InChIKey: UAISREBYDOFHJY-YFKPBYRVSA-N