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133747-74-7

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Basic Information
CAS No.: 133747-74-7
Name: 1-(4-PROPYLPHENYL)-5-OXOPYRROLIDINE-3-CARBOXYLICACID
Article Data: 2
Molecular Structure:
Molecular Structure of 133747-74-7 (1-(4-PROPYLPHENYL)-5-OXOPYRROLIDINE-3-CARBOXYLICACID)
Formula: C14H17NO3
Molecular Weight: 247.29
Synonyms: 5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxylic acid;
Density: 1.224 g/cm3
Boiling Point: 518.1 °C at 760 mmHg
Flash Point: 267.2 °C
PSA: 57.61000
LogP: 2.14160
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Specification

The 1-(4-Propylphenyl)-5-oxopyrrolidine-3-carboxylic acid with the CAS number 133747-74-7 is also called 5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxylic acid. Its molecular formula is C14H17NO3. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 1-(4-Propylphenyl)-5-oxopyrrolidine-3-carboxylic acid are: (1)ACD/LogP: 2.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.94; (4)ACD/LogD (pH 7.4): -0.83; (5)ACD/BCF (pH 5.5): 1.47; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 19.46; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 46.61Å2; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 66.87 cm3; (15)Molar Volume: 202 cm3; (16)Polarizability: 26.51×10-24cm3; (17)Surface Tension: 52.7 dyne/cm; (18)Enthalpy of Vaporization: 83.23 kJ/mol; (19)Vapour Pressure: 1.46×10-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2N(c1ccc(cc1)CCC)CC(C(=O)O)C2
(2)InChI: InChI=1/C14H17NO3/c1-2-3-10-4-6-12(7-5-10)15-9-11(14(17)18)8-13(15)16/h4-7,11H,2-3,8-9H2,1H3,(H,17,18)
(3)InChIKey: FCAJUGBVJNATGI-UHFFFAOYAS