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78348-46-6

Basic Information
CAS No.: 78348-46-6
Name: 1-BENZOYL-PIPERIDINE-2-CARBOXYLIC ACID
Article Data: 3
Molecular Structure:
Molecular Structure of 78348-46-6 (1-BENZOYL-PIPERIDINE-2-CARBOXYLIC ACID)
Formula: C13H15NO3
Molecular Weight: 233.267
Synonyms: Pipecolicacid, 1-benzoyl- (6CI,7CI);1-Benzoyl-2-piperidinecarboxylic acid;1-(Phenylcarbonyl)piperidine-2-carboxylicacid;N-Benzoyl-DL-pipecolinic acid;N-Benzoylpipecolinic acid;1-Benzoylpiperidine-2-carboxylic acid;
Density: 1.248 g/cm3
Boiling Point: 438.8 °C at 760 mmHg
Flash Point: 219.2 °C
PSA: 57.61000
LogP: 1.70380
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Specification

The 2-Piperidinecarboxylicacid, 1-benzoyl-, with the CAS registry number 78348-46-6, is also known as 1-Benzoyl-2-piperidinecarboxylic acid. This chemical's molecular formula is C13H15NO3 and molecular weight is 233.26. What's more, its systematic name is 1-Benzoylpiperidine-2-carboxylic acid.

Physical properties of 2-Piperidinecarboxylicacid, 1-benzoyl- are: (1)ACD/LogP: 0.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.34; (4)ACD/LogD (pH 7.4): -2.94; (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: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 62.37 cm3; (15)Molar Volume: 186.7 cm3; (16)Polarizability: 24.72×10-24 cm3; (17)Surface Tension: 53.9 dyne/cm; (18)Density: 1.248 g/cm3; (19)Flash Point: 219.2 °C; (20)Enthalpy of Vaporization: 73.33 kJ/mol; (21)Boiling Point: 438.8 °C at 760 mmHg; (22)Vapour Pressure: 1.78E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccccc1)N2C(C(=O)O)CCCC2
(2)InChI: InChI=1S/C13H15NO3/c15-12(10-6-2-1-3-7-10)14-9-5-4-8-11(14)13(16)17/h1-3,6-7,11H,4-5,8-9H2,(H,16,17)
(3)InChIKey: KSWNBXOCSNHTLX-UHFFFAOYSA-N