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167262-68-2

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Basic Information
CAS No.: 167262-68-2
Name: BOC-4-PHENYLPIPERIDINE-4-CARBOXYLIC ACID
Article Data: 23
Molecular Structure:
Molecular Structure of 167262-68-2 (BOC-4-PHENYLPIPERIDINE-4-CARBOXYLIC ACID)
Formula: C17H23NO4
Molecular Weight: 305.374
Synonyms: 1-tert-Butoxycarbonyl-4-phenylpiperidine-4-carboxylic acid;4-Phenylpiperidine-1,4-dicarboxylic acid mono-tert-butyl ester;1-[[(1,1-Dimethylethyl)oxy]carbonyl]-4-phenyl-4-piperidinecarboxylicacid;
Density: 1.176 g/cm3
Melting Point: 187-189°C
Boiling Point: 450 °C at 760 mmHg
Flash Point: 226 °C
PSA: 66.84000
LogP: 2.97780
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Specification

This chemical is called 1-(tert-Butoxycarbonyl)-4-phenylpiperidine-4-carboxylic acid, and its CAS registry number is 167262-68-2. With the molecular formula of C17H23NO4, its product category is Pharmacetical.

Other characteristics of the 1-(tert-Butoxycarbonyl)-4-phenylpiperidine-4-carboxylic acid can be summarised as followings: (1)ACD/LogP: 2.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.27 ; (4)ACD/BCF (pH 5.5): 2.49; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 26.34; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 55.84 Å2; (12)Index of Refraction: 1.543; (13)Molar Refractivity: 81.89 cm3; (14)Molar Volume: 259.5 cm3; (15)Polarizability: 32.46×10-24cm3; (16)Surface Tension: 47.5 dyne/cm; (17)Density: 1.176 g/cm3; (18)Flash Point: 226 °C; (19)Enthalpy of Vaporization: 74.7 kJ/mol; (20)Boiling Point: 450 °C at 760 mmHg; (21)Vapour Pressure: 6.93E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC(C)(C)C)N2CCC(c1ccccc1)(C(=O)O)CC2
2.InChI: InChI=1/C17H23NO4/c1-16(2,3)22-15(21)18-11-9-17(10-12-18,14(19)20)13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3,(H,19,20)
3.InChIKey: ZDWOYDIXKYSZPX-UHFFFAOYAA