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782494-03-5

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Basic Information
CAS No.: 782494-03-5
Name: 2-(Piperidin-4-yl)benzoic acid
Article Data: 1
Molecular Structure:
Molecular Structure of 782494-03-5 (2-(Piperidin-4-yl)benzoic acid)
Formula: C12H15NO2
Molecular Weight: 205.257
Synonyms: 2-(4-piperidinyl)Benzoic acid;2-(PIPERIDIN-4-YL)BENZOIC ACID
Density: 1.145 g/cm3
Boiling Point: 355.5 °C at 760 mmHg
Flash Point: 168.8 °C
PSA: 49.33000
LogP: 2.18060
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Specification

The CAS registry number of 2-(Piperidin-4-yl)benzoic acid is 782494-03-5. This chemical's molecular formula is C12H15NO2 and its molecular weight is 205.255. Its systematic name is called 2-piperidin-3-ylbenzoic acid.

Physical properties of this chemical are: (1)ACD/LogP: 2.23; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.2; (6)ACD/KOC (pH 7.4): 1.22; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.558; (11)Molar Refractivity: 57.78 cm3; (12)Molar Volume: 179.2 cm3; (13)Surface Tension: 46.7 dyne/cm; (14)Density: 1.145 g/cm3; (15)Flash Point: 168.8 °C; (16)Enthalpy of Vaporization: 63.39 kJ/mol; (17)Boiling Point: 355.5 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccccc1C2CCCNC2
(2)InChI: InChI=1/C12H15NO2/c14-12(15)11-6-2-1-5-10(11)9-4-3-7-13-8-9/h1-2,5-6,9,13H,3-4,7-8H2,(H,14,15)
(3)InChIKey: BAWNTPWIVXZYLH-UHFFFAOYAO