CAS No.78648-27-8,2-Pyrrolidin-1-yl-benzoic Acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	78648-27-8
Name:	2-Pyrrolidin-1-yl-benzoic Acid
Article Data:	2

Formula:	C₁₁H₁₃NO₂
Molecular Weight:	191.2264
Synonyms:	2-(1-Pyrrolidinyl)benzoicacid;2-Pyrrolidin-1-ylbenzoic acid;
Density:	1.222 g/cm³
Boiling Point:	351.876 °C at 760 mmHg
Flash Point:	166.609 °C
PSA:	40.54000
LogP:	2.05000

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Specification

The Benzoic acid,2-(1-pyrrolidinyl)-, with the CAS registry number 78648-27-8, is also known as 2-Pyrrolidin-1-ylbenzoic acid. It belongs to the product categories of Acids and Derivatives; Heterocycles. This chemical's molecular formula is C₁₁H₁₃NO₂ and molecular weight is 191.2264. What's more, its systematic name is called 2-(Pyrrolidin-1-yl)benzoic acid.

Physical properties about Benzoic acid,2-(1-pyrrolidinyl)- are: (1)ACD/LogP: 1.34; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 4; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 40.54 Å²; (12)Index of Refraction: 1.598; (13)Molar Refractivity: 53.388 cm³; (14)Molar Volume: 156.493 cm³; (15)Polarizability: 21.164×10^-24 cm³; (16)Surface Tension: 52.468 dyne/cm; (17)Density: 1.222 g/cm³; (18)Flash Point: 166.609 °C; (19)Enthalpy of Vaporization: 62.96 kJ/mol; (20)Boiling Point: 351.876 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OC(=O)c1ccccc1N2CCCC2
(2) InChI: InChI=1/C11H13NO2/c13-11(14)9-5-1-2-6-10(9)12-7-3-4-8-12/h1-2,5-6H,3-4,7-8H2,(H,13,14)
(3) InChIKey: SSALRORMOVCZTK-UHFFFAOYAR