CAS No.766508-67-2,4-(3'-Carboxyphenyl)piperidine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	766508-67-2
Name:	4-(3'-Carboxyphenyl)piperidine

Formula:	C₁₂H₁₅NO₂
Molecular Weight:	205.257
Synonyms:	3-(4-Piperidinyl)benzoicacid;
Density:	1.145 g/cm³
Boiling Point:	377.5 °C at 760 mmHg
Flash Point:	182.1 °C
PSA:	49.33000
LogP:	2.18060

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Specification

The 4-(3'-Carboxyphenyl)piperidine, with the CAS registry number 766508-67-2, is also known as 3-(Piperidin-4-yl)benzoic acid. This chemical's molecular formula is C₁₂H₁₅NO₂ and molecular weight is 205.253. What's more, its systematic name is called 3-(4-Piperidyl)benzoic acid.

Physical properties about 4-(3'-Carboxyphenyl)piperidine are: (1)ACD/LogP: 2.07; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 49.33 Å²; (7)Index of Refraction: 1.558; (8)Molar Refractivity: 57.78 cm³; (9)Molar Volume: 179.2 cm³; (10)Surface Tension: 46.7 dyne/cm; (11)Density: 1.145 g/cm³; (12)Flash Point: 182.1 °C; (13)Enthalpy of Vaporization: 65.96 kJ/mol; (14)Boiling Point: 377.5 °C at 760 mmHg; (15)Vapour Pressure: 2.26E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OC(=O)c1cc(ccc1)C2CCNCC2
(2) InChI: InChI=1/C12H15NO2/c14-12(15)11-3-1-2-10(8-11)9-4-6-13-7-5-9/h1-3,8-9,13H,4-7H2,(H,14,15)
(3) InChIKey: ICCKWGCLHGIEQE-UHFFFAOYAR