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Benzoic acid,2-(1-pyrrolidinyl)-

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Name

Benzoic acid,2-(1-pyrrolidinyl)-

EINECS N/A
CAS No. 78648-27-8 Density 1.222 g/cm3
PSA 40.54000 LogP 2.05000
Solubility N/A Melting Point N/A
Formula C11H13NO2 Boiling Point 351.876 °C at 760 mmHg
Molecular Weight 191.2264 Flash Point 166.609 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 78648-27-8 (2-Pyrrolidin-1-yl-benzoic Acid) Hazard Symbols N/A
Synonyms

2-(1-Pyrrolidinyl)benzoicacid;2-Pyrrolidin-1-ylbenzoic acid;

Article Data 2

Benzoic acid,2-(1-pyrrolidinyl)- 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

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