CAS No.22540-50-7,6-Oxopiperidine-3-carboxylic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	22540-50-7
Name:	6-Oxopiperidine-3-carboxylic acid
Article Data:	4

Formula:	C₆H₉NO₃
Molecular Weight:	143.142
Synonyms:	2-Piperidone-5-carboxylic acid;5-Carboxy-2-piperidone;3-Piperidinecarboxylic acid;6-Oxonipecotic acid;
Density:	1.286 g/cm³
Boiling Point:	437 °C at 760 mmHg
Flash Point:	218.1 °C
PSA:	69.89000
LogP:	-0.12690

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Specification

This product is an organic compound with the formula C₆H₉NO₃. The systematic name of this chemical is 6-Oxopiperidine-3-carboxylic acid. With the CAS registry number 22540-50-7, it is also named as 2-Piperidone-5-carboxylic acid. In addition, the molecular weight is 143.14.

Physical properties of 6-Oxopiperidine-3-carboxylic acid are: (1)ACD/LogP: -1.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.06; (4)ACD/LogD (pH 7.4): -4.83; (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: 46.61 Å²; (13)Index of Refraction: 1.498; (14)Molar Refractivity: 32.64 cm³; (15)Molar Volume: 111.2 cm³; (16)Polarizability: 12.94×10^-24cm³; (17)Surface Tension: 48.9 dyne/cm; (18)Density: 1.286 g/cm³; (19)Flash Point: 218.1 °C; (20)Enthalpy of Vaporization: 76.04 kJ/mol; (21)Boiling Point: 437 °C at 760 mmHg; (22)Vapour Pressure: 7.39E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1NCC(C(=O)O)CC1
(2)InChI: InChI=1S/C6H9NO3/c8-5-2-1-4(3-7-5)6(9)10/h4H,1-3H2,(H,7,8)(H,9,10)
(3)InChIKey: LWZUSLUUMWDITR-UHFFFAOYSA-N