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41790-73-2

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Basic Information
CAS No.: 41790-73-2
Name: 2-(2-OXOPYRROLIDIN-1-YL)BENZOIC ACID
Article Data: 5
Molecular Structure:
Molecular Structure of 41790-73-2 (2-(2-OXOPYRROLIDIN-1-YL)BENZOIC ACID)
Formula: C11H11NO3
Molecular Weight: 205.213
Synonyms: 1-(2-Carboxyphenyl)pyrrolidin-2-one;
Density: 1.341 g/cm3
Boiling Point: 476 °C at 760 mmHg
Flash Point: 241.7 °C
PSA: 57.61000
LogP: 1.57660
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Specification

The Benzoic acid, 2-(2-oxo-1-pyrrolidinyl)-, with the CAS registry number of 41790-73-2, is also known as 2-(2-Oxopyrrolidinyl)benzoic acid. This chemical's molecular formula is C11H11NO3 and molecular weight is 205.2099. What's more, its systematic name is called 2-(2-Oxopyrrolidin-1-yl)benzoic acid.

Physical properties about Benzoic acid, 2-(2-oxo-1-pyrrolidinyl)- are: (1)ACD/LogP: 1.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.73; (4)ACD/LogD (pH 7.4): -1.98; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.43; (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: 1.616; (14)Molar Refractivity: 53.51 cm3; (15)Molar Volume: 152.9 cm3; (16)Surface Tension: 60.3 dyne/cm; (17)Density: 1.341 g/cm3; (18)Flash Point: 241.7 °C; (19)Enthalpy of Vaporization: 77.92 kJ/mol; (20)Boiling Point: 476 °C at 760 mmHg; (21)Vapour Pressure: 7.19E-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1ccccc1N2C(=O)CCC2
(2) InChI: InChI=1/C11H11NO3/c13-10-6-3-7-12(10)9-5-2-1-4-8(9)11(14)15/h1-2,4-5H,3,6-7H2,(H,14,15)
(3) InChIKey: WMLRBQWYIZGVMF-UHFFFAOYAP