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2-Piperidinecarboxylicacid, 4-oxo-, (2S)-

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Name

2-Piperidinecarboxylicacid, 4-oxo-, (2S)-

EINECS N/A
CAS No. 65060-18-6 Density 1.287 g/cm3
PSA 66.40000 LogP -0.27910
Solubility N/A Melting Point N/A
Formula C6H9NO3 Boiling Point 341.36 °C at 760 mmHg
Molecular Weight 143.142 Flash Point 160.249 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 65060-18-6 ((S)-4-OXO-PIPERIDINE-2-CARBOXYLIC ACID) Hazard Symbols N/A
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;

Article Data 3

2-Piperidinecarboxylicacid, 4-oxo-, (2S)- Specification

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

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