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175153-03-4

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Basic Information
CAS No.: 175153-03-4
Name: 4-(2-OXO-PIPERIDIN-1-YL)-BENZOIC ACID
Article Data: 6
Molecular Structure:
Molecular Structure of 175153-03-4 (4-(2-OXO-PIPERIDIN-1-YL)-BENZOIC ACID)
Formula: C12H13NO3
Molecular Weight: 219.24
Synonyms: 1-(4-Carboxyphenyl)piperidin-2-one;4-(2-Oxopiperidin-1-yl)benzoic acid;4-(2-Oxo-piperidin-1-yl)-benzoic acid;
Density: 1.284 g/cm3
Boiling Point: 508.3 °C at 760 mmHg
Flash Point: 261.2 °C
PSA: 57.61000
LogP: 1.96670
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Specification

The Benzoic acid,4-(2-oxo-1-piperidinyl)-, with the CAS registry number 175153-03-4, is also known as 1-(4-Carboxyphenyl)piperidin-2-one. This chemical's molecular formula is C12H13NO3 and molecular weight is 219.24. What's more, its systematic name is 4-(2-Oxopiperidin-1-yl)benzoic acid.

Physical properties of Benzoic acid,4-(2-oxo-1-piperidinyl)- are: (1)ACD/LogP: 1.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.45; (4)ACD/LogD (pH 7.4): -1.17; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 11.99; (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: 1.596; (14)Molar Refractivity: 58.12 cm3; (15)Molar Volume: 170.7 cm3; (16)Polarizability: 23.04×10-24 cm3; (17)Surface Tension: 55.7 dyne/cm; (18)Density: 1.284 g/cm3; (19)Flash Point: 261.2 °C; (20)Enthalpy of Vaporization: 81.99 kJ/mol; (21)Boiling Point: 508.3 °C at 760 mmHg; (22)Vapour Pressure: 3.72E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccc(cc1)N2C(=O)CCCC2
(2)InChI: InChI=1/C12H13NO3/c14-11-3-1-2-8-13(11)10-6-4-9(5-7-10)12(15)16/h4-7H,1-3,8H2,(H,15,16)
(3)InChIKey: WNHDBSPODXLMRX-UHFFFAOYSA-N