Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
6-Oxo-3-piperidinecarboxylic acid |
EINECS | N/A |
CAS No. | 22540-50-7 | Density | 1.286 g/cm3 |
PSA | 69.89000 | LogP | -0.12690 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H9NO3 | Boiling Point | 437 °C at 760 mmHg |
Molecular Weight | 143.142 | Flash Point | 218.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Piperidone-5-carboxylic acid;5-Carboxy-2-piperidone;3-Piperidinecarboxylic acid;6-Oxonipecotic acid; |
Article Data | 4 |
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: 12.94×10-24 cm3; (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